[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H26N4O4/c1-18(27)25-15-9-22(10-16-25,19-7-3-2-4-8-19)21(29)30-17-20(28)26(13-5-11-23)14-6-12-24/h2-4,7-8H,5-6,9-10,13-17H2,1H3