Indolecarboxylic acids

Description:

Compounds containing a carboxylic acid group linked to an indole.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Indoles and derivatives ⮕ Indolecarboxylic acids and derivatives ⮕ Indolecarboxylic acids

tert-Butyl 5-fluoro-1H-indole-1-carboxylate
- ≥98%
Cas Number: 129822-47-5 Compound CID: 14710389

Formula: C₁₃H₁₄FNO₂ Molecular Weight: 235.25

IUPAC Name: tert-butyl 5-fluoroindole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)F

InChIKey: PCZRVRIBJPHEBB-UHFFFAOYSA-N

InChI: InChI=1S/C13H14FNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,1-3H3
Details

Pricing Close
tert-Butyl 5-(benzyloxy)-3-(hydroxymethyl)-1H-indole-1-carboxylate
- ≥95%
Cas Number: 914349-14-7 Compound CID: 40428541

Formula: C₂₁H₂₃NO₄ Molecular Weight: 353.42

IUPAC Name: tert-butyl 3-(hydroxymethyl)-5-phenylmethoxyindole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)CO

InChIKey: ZFIAACLRYAZNPM-UHFFFAOYSA-N

InChI: InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-12-16(13-23)18-11-17(9-10-19(18)22)25-14-15-7-5-4-6-8-15/h4-12,23H,13-14H2,1-3H3
Details

Pricing Close
tert-Butyl 5-(aminomethyl)indoline-1-carboxylate
- ≥97%
Cas Number: 885270-00-8 Compound CID: 53408093

Formula: C₁₄H₂₀N₂O₂ Molecular Weight: 248.32

IUPAC Name: tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCC2=C1C=CC(=C2)CN

InChIKey: GTEVTJRBLUFOKF-UHFFFAOYSA-N

InChI: InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-11-8-10(9-15)4-5-12(11)16/h4-5,8H,6-7,9,15H2,1-3H3
Details

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tert-Butyl 4-hydroxy-1H-indole-1-carboxylate
- ≥95%
Cas Number: 879093-22-8 Compound CID: 24728909

IUPAC Name: tert-butyl 4-hydroxyindole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2O

InChIKey: VQMNWIMYFHHFMC-UHFFFAOYSA-N

InChI: InChI=1S/C13H15NO3/c1-13(2,3)17-12(16)14-8-7-9-10(14)5-4-6-11(9)15/h4-8,15H,1-3H3
Details

Pricing Close
tert-Butyl 4-methoxy-1H-indole-1-carboxylate
- ≥98%
Cas Number: 1093759-59-1 Compound CID: 49758848

Formula: C₁₄H₁₇NO₃ Molecular Weight: 247.29

IUPAC Name: tert-butyl 4-methoxyindole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2OC

InChIKey: DNCPOYDMSDZLSB-UHFFFAOYSA-N

InChI: InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-9-8-10-11(15)6-5-7-12(10)17-4/h5-9H,1-4H3
Details

Pricing Close
tert-Butyl 4-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylate
- ≥95%
Cas Number: 914349-05-6 Compound CID: 40428531

Formula: C₁₄H₁₆BrNO₃ Molecular Weight: 326.2

IUPAC Name: tert-butyl 4-bromo-3-(hydroxymethyl)indole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2Br)CO

InChIKey: QWJQFTZLGZCFNQ-UHFFFAOYSA-N

InChI: InChI=1S/C14H16BrNO3/c1-14(2,3)19-13(18)16-7-9(8-17)12-10(15)5-4-6-11(12)16/h4-7,17H,8H2,1-3H3
Details

Pricing Close
(4-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
- ≥98%
Cas Number: 957034-29-6 Compound CID: 23005341

Formula: C₁₃H₁₅BBrNO₄ Molecular Weight: 339.98

IUPAC Name: [4-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid

SMILES: B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC=C2Br)(O)O

InChIKey: WWSBCMYHAIKIPV-UHFFFAOYSA-N

InChI: InChI=1S/C13H15BBrNO4/c1-13(2,3)20-12(17)16-10-6-4-5-9(15)8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
Details

Pricing Close
Methyl3-methyl-1H-indole-5-carboxylate
- ≥98%
Cas Number: 588688-33-9 Compound CID: 23383527

Formula: C₁₁H₁₁NO₂ Molecular Weight: 189.21

IUPAC Name: methyl 3-methyl-1H-indole-5-carboxylate

SMILES: CC1=CNC2=C1C=C(C=C2)C(=O)OC

InChIKey: DJVVYXJJXMUAPJ-UHFFFAOYSA-N

InChI: InChI=1S/C11H11NO2/c1-7-6-12-10-4-3-8(5-9(7)10)11(13)14-2/h3-6,12H,1-2H3
Details

Pricing Close
Methyl1-acetyl-2-oxoindoline-6-carboxylate
- ≥98%
Cas Number: 676326-36-6 Compound CID: 44191304

Formula: C₁₂H₁₁NO₄ Molecular Weight: 233.22

IUPAC Name: methyl 1-acetyl-2-oxo-3H-indole-6-carboxylate

SMILES: CC(=O)N1C(=O)CC2=C1C=C(C=C2)C(=O)OC

InChIKey: QIMXPFXIAXDPBS-UHFFFAOYSA-N

InChI: InChI=1S/C12H11NO4/c1-7(14)13-10-5-9(12(16)17-2)4-3-8(10)6-11(13)15/h3-5H,6H2,1-2H3
Details

Pricing Close
Methyl indoline-4-carboxylate hydrochloride
- ≥97%
Cas Number: 1187927-40-7 Compound CID: 53302065

Formula: C₁₀H₁₂ClNO₂ Molecular Weight: 213.66

IUPAC Name: methyl 2,3-dihydro-1H-indole-4-carboxylate;hydrochloride

SMILES: COC(=O)C1=C2CCNC2=CC=C1.Cl

InChIKey: SBSHOJQKDISHLU-UHFFFAOYSA-N

InChI: InChI=1S/C10H11NO2.ClH/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9;/h2-4,11H,5-6H2,1H3;1H
Details

Pricing Close
Methyl indoline-6-carboxylate hydrochloride
- ≥95%
Cas Number: 1187928-05-7 Compound CID: 53408435

Formula: C10H12ClNO2

IUPAC Name: methyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride

SMILES: COC(=O)C1=CC2=C(CCN2)C=C1.Cl

InChIKey: YRVKTOXGFFZLCT-UHFFFAOYSA-N

InChI: InChI=1S/C10H11NO2.ClH/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8;/h2-3,6,11H,4-5H2,1H3;1H
Details

Pricing Close
Methyl 3-iodo-1H-indole-6-carboxylate
- ≥95%
Cas Number: 850374-98-0 Compound CID: 7127830

Formula: C₁₀H₈INO₂ Molecular Weight: 301.08

IUPAC Name: methyl 3-iodo-1H-indole-6-carboxylate

SMILES: COC(=O)C1=CC2=C(C=C1)C(=CN2)I

InChIKey: WUFYFIRKVXAESN-UHFFFAOYSA-N

InChI: InChI=1S/C10H8INO2/c1-14-10(13)6-2-3-7-8(11)5-12-9(7)4-6/h2-5,12H,1H3
Details

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