1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-5-(carboxymethyloxy)-2-(phenylmethyl)-3H-indole-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-5-(carboxymethyloxy)-2-(phenylmethyl)-3H-indole-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-5-(carboxymethyloxy)indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-5-(carboxymethyloxy)-2-(phenylmethyl)-3H-indole-2-carboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-5-(carboxymethyloxy)-3H-indole-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-5-(carboxymethyloxy)indoline-2-carboxylic acid Formula: C30H31NO7 MolecularWeight: 517.56964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CC2(CC4=CC=CC=C4)C(=O)O)C=C(C=C3)OCC(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CC2(CC4=CC=CC=C4)C(=O)O)C=C(C=C3)OCC(=O)O)OC

InChI

InChI=1S/C30H31NO7/c1-29(2,3)23-12-10-20(15-25(23)37-4)27(34)31-24-13-11-22(38-18-26(32)33)14-21(24)17-30(31,28(35)36)16-19-8-6-5-7-9-19/h5-15H,16-18H2,1-4H3,(H,32,33)(H,35,36)