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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(cyanomethoxy)-2-(2-methylpropyl)-3H-indole-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(cyanomethoxy)-2-isobutyl-indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(cyanomethoxy)-2-(2-methylpropyl)-3H-indole-2-carboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-(cyanomethoxy)-2-(2-methylpropyl)-3H-indole-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(cyanomethoxy)-2-isobutyl-indoline-2-carboxylic acid Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC2=C(N1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C=CC=C2OCC#N)C(=O)O

Isomeric SMILES

CC(C)CC1(CC2=C(N1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C=CC=C2OCC#N)C(=O)O

InChI

InChI=1S/C27H32N2O5/c1-17(2)15-27(25(31)32)16-19-21(8-7-9-22(19)34-13-12-28)29(27)24(30)18-10-11-20(26(3,4)5)23(14-18)33-6/h7-11,14,17H,13,15-16H2,1-6H3,(H,31,32)