[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-phenylbutanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-phenylbutanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-2-16(15-8-4-3-5-9-15)18(23)24-14-17(22)21(12-6-10-19)13-7-11-20/h3-5,8-9,16H,2,6-7,12-14H2,1H3