ethyl 1-[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate Traditional Name: 1-[2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl]nipecotic acid ethyl ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3/c1-3-25-18(24)14-5-4-8-22(11-14)12(2)17(23)21-15-7-6-13(10-20)16(19)9-15/h6-7,9,12,14H,3-5,8,11H2,1-2H3,(H,21,23)