1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-2-(phenylmethyl)-3H-indole-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-2-(phenylmethyl)-3H-indole-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-(phenylmethyl)-3H-indole-2-carboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3H-indole-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-[(E)-3-hydroxy-3-keto-prop-1-enyl]indoline-2-carboxylic acid Formula: C31H31NO6 MolecularWeight: 513.58094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=CC=CC(=C3CC2(CC4=CC=CC=C4)C(=O)O)C=CC(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=CC=CC(=C3CC2(CC4=CC=CC=C4)C(=O)O)/C=C/C(=O)O)OC

InChI

InChI=1S/C31H31NO6/c1-30(2,3)24-15-13-22(17-26(24)38-4)28(35)32-25-12-8-11-21(14-16-27(33)34)23(25)19-31(32,29(36)37)18-20-9-6-5-7-10-20/h5-17H,18-19H2,1-4H3,(H,33,34)(H,36,37)/b16-14+