ethyl (3S)-1-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]nipecotic acid ethyl ester Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3/c1-2-24-17(23)13-4-3-7-21(10-13)11-16(22)20-15-8-14(18)6-5-12(15)9-19/h5-6,8,13H,2-4,7,10-11H2,1H3,(H,20,22)/t13-/m0/s1