[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-benzamidobutanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-benzamidobutanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4/c1-15(22-19(26)16-7-3-2-4-8-16)13-18(25)27-14-17(24)23(11-5-9-20)12-6-10-21/h2-4,7-8,15H,5-6,11-14H2,1H3,(H,22,26)