3-(carboxymethyl)-2-(3,4-diethoxyphenyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-2-(3,4-diethoxyphenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(carboxymethyl)-2-(3,4-diethoxyphenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(carboxymethyl)-2-(3,4-diethoxyphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(carboxymethyl)-2-(3,4-diethoxyphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(carboxymethyl)-2-(3,4-diethoxyphenyl)-1H-indole-5-carboxylic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CC(=O)O)OCC

InChI

InChI=1S/C21H21NO6/c1-3-27-17-8-6-12(10-18(17)28-4-2)20-15(11-19(23)24)14-9-13(21(25)26)5-7-16(14)22-20/h5-10,22H,3-4,11H2,1-2H3,(H,23,24)(H,25,26)