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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-3H-indole-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-isobutyl-indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-(2-methylpropyl)-3H-indole-2-carboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-(2-methylpropyl)-3H-indole-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2-isobutyl-indoline-2-carboxylic acid Formula: C28H33NO6 MolecularWeight: 479.56472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC2=C(C=CC=C2N1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1(CC2=C(C=CC=C2N1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)/C=C/C(=O)O)C(=O)O

InChI

InChI=1S/C28H33NO6/c1-17(2)15-28(26(33)34)16-20-18(11-13-24(30)31)8-7-9-22(20)29(28)25(32)19-10-12-21(27(3,4)5)23(14-19)35-6/h7-14,17H,15-16H2,1-6H3,(H,30,31)(H,33,34)/b13-11+