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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c1-15(2)18(23-19(26)16-8-4-3-5-9-16)20(27)28-14-17(25)24(12-6-10-21)13-7-11-22/h3-5,8-9,15,18H,6-7,12-14H2,1-2H3,(H,23,26)