ethyl (3S)-1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl]nipecotic acid ethyl ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C19H22N4O3/c1-2-26-19(25)13-6-5-9-23(11-13)12-17(24)14(10-20)18-21-15-7-3-4-8-16(15)22-18/h3-4,7-8,13,21-22H,2,5-6,9,11-12H2,1H3/t13-/m0/s1