[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NCCC#N)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NCCC#N)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C18H22ClN3O4/c1-12(2)10-15(18(25)26-11-16(23)21-9-3-8-20)22-17(24)13-4-6-14(19)7-5-13/h4-7,12,15H,3,9-11H2,1-2H3,(H,21,23)(H,22,24)