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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-3H-indole-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-3H-indole-2-carboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-3H-indole-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)indoline-2-carboxylic acid Formula: C28H29NO4 MolecularWeight: 443.53416

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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)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)OC

InChI

InChI=1S/C28H29NO4/c1-27(2,3)22-15-14-20(16-24(22)33-4)25(30)29-23-13-9-8-12-21(23)18-28(29,26(31)32)17-19-10-6-5-7-11-19/h5-16H,17-18H2,1-4H3,(H,31,32)