ethyl (3S)-1-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-cyanoanilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(4-cyanoanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(4-cyanoanilino)-2-keto-ethyl]nipecotic acid ethyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H21N3O3/c1-2-23-17(22)14-4-3-9-20(11-14)12-16(21)19-15-7-5-13(10-18)6-8-15/h5-8,14H,2-4,9,11-12H2,1H3,(H,19,21)/t14-/m0/s1