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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-4-(1,3-thiazol-2-yl)-3H-indole-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-thiazol-2-yl-indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-4-(2-thiazolyl)-3H-indole-2-carboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-(1,3-thiazol-2-yl)-3H-indole-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-thiazol-2-yl-indoline-2-carboxylic acid Formula: C31H30N2O4S MolecularWeight: 526.6459

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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)C5=NC=CS5)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)C5=NC=CS5)OC

InChI

InChI=1S/C31H30N2O4S/c1-30(2,3)24-14-13-21(17-26(24)37-4)28(34)33-25-12-8-11-22(27-32-15-16-38-27)23(25)19-31(33,29(35)36)18-20-9-6-5-7-10-20/h5-17H,18-19H2,1-4H3,(H,35,36)