methyl 2-[(4-chlorophenyl)carbonylamino]-2-(2-cyanoethyl)-4-methyl-pentanoate

Systemtic Name: methyl 2-[(4-chlorophenyl)carbonylamino]-2-(2-cyanoethyl)-4-methyl-pentanoate Openeye Name: methyl 2-[(4-chlorobenzoyl)amino]-2-(2-cyanoethyl)-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-2-(2-cyanoethyl)-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(4-chlorobenzoyl)amino]-2-(2-cyanoethyl)-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-2-(2-cyanoethyl)-4-methyl-valeric acid methyl ester Formula: C17H21ClN2O3 MolecularWeight: 336.81324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCC#N)(C(=O)OC)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)CC(CCC#N)(C(=O)OC)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H21ClN2O3/c1-12(2)11-17(9-4-10-19,16(22)23-3)20-15(21)13-5-7-14(18)8-6-13/h5-8,12H,4,9,11H2,1-3H3,(H,20,21)