(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H25ClN2O4 MolecularWeight: 440.9193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C24H25ClN2O4/c1-24(2,3)21(28)14-31-23(30)20(27-22(29)17-9-4-6-10-18(17)25)12-15-13-26-19-11-7-5-8-16(15)19/h4-11,13,20,26H,12,14H2,1-3H3,(H,27,29)