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Indolyl carboxylic acids and derivatives
Description:
Compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
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2-(7-Chloro-1H-indol-3-yl)acetic acidCas Number: 1912-41-0 Compound CID: 3083739Formula: C10H8ClNO2 Molecular Weight: 209.63IUPAC Name: 2-(7-chloro-1H-indol-3-yl)acetic acidSMILES: C1=CC2=C(C(=C1)Cl)NC=C2CC(=O)OInChIKey: IFOAZUXPPBRTBS-UHFFFAOYSA-NInChI: InChI=1S/C10H8ClNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5,12H,4H2,(H,13,14) -
2-(5-Bromo-7-fluoro-1，2，3，4-tetrahydrocyclopenta[b]indol-3-yl)acetic acidCas Number: 393509-23-4 Compound CID: 16109371Formula: C13H11BrFNO2 Molecular Weight: 312.13IUPAC Name: 2-(5-bromo-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acidSMILES: C1CC2=C(C1CC(=O)O)NC3=C2C=C(C=C3Br)FInChIKey: UFDLKQSJWWUVOQ-UHFFFAOYSA-NInChI: InChI=1S/C13H11BrFNO2/c14-10-5-7(15)4-9-8-2-1-6(3-11(17)18)12(8)16-13(9)10/h4-6,16H,1-3H2,(H,17,18)
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2-(5-(Trifluoromethyl)-1H-indol-3-yl)acetic acidCas Number: 378802-40-5 Compound CID: 22490726IUPAC Name: 2-[5-(trifluoromethyl)-1H-indol-3-yl]acetic acidSMILES: C1=CC2=C(C=C1C(F)(F)F)C(=CN2)CC(=O)OInChIKey: JSNULZACNINBHS-UHFFFAOYSA-NInChI: InChI=1S/C11H8F3NO2/c12-11(13,14)7-1-2-9-8(4-7)6(5-15-9)3-10(16)17/h1-2,4-5,15H,3H2,(H,16,17)
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2-(4-(4-Chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-1，2，3，4-tetrahydrocyclopenta[b]indol-3-yl)aceticacidCas Number: 571170-81-5Formula: C21H19ClFNO4S Molecular Weight: 435.91IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acidSMILES: CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CCC3CC(=O)O)CC4=CC=C(C=C4)Cl)FInChIKey: NXFFJDQHYLNEJK-UHFFFAOYSA-NInChI: show more
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2-(1-(tert-butoxycarbonyl)-1H-indol-3-yl)acetic acidCas Number: 128550-08-3 Compound CID: 10934666Formula: C15H17NO4 Molecular Weight: 275.3IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]acetic acidSMILES: CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(=O)OInChIKey: VRZTWLIBIMXVMR-UHFFFAOYSA-NInChI: InChI=1S/C15H17NO4/c1-15(2,3)20-14(19)16-9-10(8-13(17)18)11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3,(H,17,18)
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(R)-2-Amino-3-(7-chloro-1H-indol-3-yl)propanoic acidCas Number: 75102-74-8 Compound CID: 16741255Formula: C11H11ClN2O2 Molecular Weight: 238.67IUPAC Name: (2R)-2-amino-3-(7-chloro-1H-indol-3-yl)propanoic acidSMILES: C1=CC2=C(C(=C1)Cl)NC=C2CC(C(=O)O)NInChIKey: DMQFGLHRDFQKNR-SECBINFHSA-NInChI: InChI=1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m1/s1
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Methyl 2-(5-chloro-1H-indol-3-yl)acetateCas Number: 74339-45-0 Compound CID: 72183118Formula: C11H10ClNO2 Molecular Weight: 223.65IUPAC Name: methyl 2-(5-chloro-1H-indol-3-yl)acetateSMILES: COC(=O)CC1=CNC2=C1C=C(C=C2)ClInChIKey: QLTNJBDKTUWQFP-UHFFFAOYSA-NInChI: InChI=1S/C11H10ClNO2/c1-15-11(14)4-7-6-13-10-3-2-8(12)5-9(7)10/h2-3,5-6,13H,4H2,1H3
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L-N-Boc-5-chlorotryptophanCas Number: 114873-08-4Formula: C16H19ClN2O4 Molecular Weight: 338.78IUPAC Name: (2S)-3-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidSMILES: CC(C)(C)OC(=O)NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)OInChIKey: PZZXAZAYKCNQAL-ZDUSSCGKSA-NInChI: InChI=1S/C16H19ClN2O4/c1-16(2,3)23-15(22)19-13(14(20)21)6-9-8-18-12-5-4-10(17)7-11(9)12/h4-5,7-8,13,18H,6H2,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1
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Ethyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetateCas Number: 3446-72-8 Compound CID: 11601269Formula: C13H14ClNO2 Molecular Weight: 251.71IUPAC Name: ethyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetateSMILES: CCOC(=O)CC1=C(NC2=C1C=C(C=C2)Cl)CInChIKey: BEIZRBAYMLMWPP-UHFFFAOYSA-NInChI: InChI=1S/C13H14ClNO2/c1-3-17-13(16)7-10-8(2)15-12-5-4-9(14)6-11(10)12/h4-6,15H,3,7H2,1-2H3
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Ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetateCas Number: 72016-68-3 Compound CID: 10780239Formula: C13H14BrNO2 Molecular Weight: 296.16IUPAC Name: ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetateSMILES: CCOC(=O)CC1=C(NC2=C1C=C(C=C2)Br)CInChIKey: GNAIWTYKMSIQQR-UHFFFAOYSA-NInChI: InChI=1S/C13H14BrNO2/c1-3-17-13(16)7-10-8(2)15-12-5-4-9(14)6-11(10)12/h4-6,15H,3,7H2,1-2H3
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3-(5-Fluoro-1H-indol-3-yl)propanoic acidCas Number: 7394-78-7 Compound CID: 10899794IUPAC Name: 3-(5-fluoro-1H-indol-3-yl)propanoic acidSMILES: C1=CC2=C(C=C1F)C(=CN2)CCC(=O)OInChIKey: VWGFABPQHOAUQY-UHFFFAOYSA-NInChI: InChI=1S/C11H10FNO2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4H2,(H,14,15)
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3-(2-Oxoindolin-3-yl)propanoic acidIUPAC Name: 3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(C(=O)N2)CCC(=O)OInChIKey: BFQGSVVUAHHSFU-UHFFFAOYSA-NInChI: InChI=1S/C11H11NO3/c13-10(14)6-5-8-7-3-1-2-4-9(7)12-11(8)15/h1-4,8H,5-6H2,(H,12,15)(H,13,14)
