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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-5-pyridin-3-yl-3H-indole-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-5-(3-pyridyl)indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-5-(3-pyridinyl)-3H-indole-2-carboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-5-pyridin-3-yl-3H-indole-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-5-(3-pyridyl)indoline-2-carboxylic acid Formula: C33H32N2O4 MolecularWeight: 520.61818

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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)C5=CN=CC=C5)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)C5=CN=CC=C5)OC

InChI

InChI=1S/C33H32N2O4/c1-32(2,3)27-14-12-24(18-29(27)39-4)30(36)35-28-15-13-23(25-11-8-16-34-21-25)17-26(28)20-33(35,31(37)38)19-22-9-6-5-7-10-22/h5-18,21H,19-20H2,1-4H3,(H,37,38)