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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(pyridin-3-ylmethyl)-3H-indole-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-(3-pyridylmethyl)indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(3-pyridinylmethyl)-3H-indole-2-carboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-2-(pyridin-3-ylmethyl)-3H-indole-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-(3-pyridylmethyl)indoline-2-carboxylic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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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=CN=CC=C4)C(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3CC2(CC4=CN=CC=C4)C(=O)O)OC

InChI

InChI=1S/C27H28N2O4/c1-26(2,3)21-12-11-19(14-23(21)33-4)24(30)29-22-10-6-5-9-20(22)16-27(29,25(31)32)15-18-8-7-13-28-17-18/h5-14,17H,15-16H2,1-4H3,(H,31,32)