1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-3H-indole-2,4-dicarboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-3H-indole-2,4-dicarboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)indoline-2,4-dicarboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-3H-indole-2,4-dicarboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-3H-indole-2,4-dicarboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)indoline-2,4-dicarboxylic acid Formula: C29H29NO6 MolecularWeight: 487.54366

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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(=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(=O)O)OC

InChI

InChI=1S/C29H29NO6/c1-28(2,3)22-14-13-19(15-24(22)36-4)25(31)30-23-12-8-11-20(26(32)33)21(23)17-29(30,27(34)35)16-18-9-6-5-7-10-18/h5-15H,16-17H2,1-4H3,(H,32,33)(H,34,35)