[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C19H22ClN3O3/c1-14(2)18(15-5-7-16(20)8-6-15)19(25)26-13-17(24)23(11-3-9-21)12-4-10-22/h5-8,14,18H,3-4,11-13H2,1-2H3