[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(o-toluoylamino)butyric acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=C(C(=C(N2C3CCCC3)C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=C(C(=C(N2C3CCCC3)C)C)C#N

InChI

InChI=1S/C27H34N4O4/c1-16(2)24(30-26(33)21-13-9-6-10-17(21)3)27(34)35-15-23(32)29-25-22(14-28)18(4)19(5)31(25)20-11-7-8-12-20/h6,9-10,13,16,20,24H,7-8,11-12,15H2,1-5H3,(H,29,32)(H,30,33)