ethyl 1-[(3-chloranyl-4-cyano-phenyl)carbamoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3-chloranyl-4-cyano-phenyl)carbamoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(3-chloro-4-cyano-phenyl)carbamoyl]piperidine-3-carboxylate CAS Name: 1-[(3-chloro-4-cyanoanilino)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-chloro-4-cyanophenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: 1-[(3-chloro-4-cyano-phenyl)carbamoyl]nipecotic acid ethyl ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3/c1-2-23-15(21)12-4-3-7-20(10-12)16(22)19-13-6-5-11(9-18)14(17)8-13/h5-6,8,12H,2-4,7,10H2,1H3,(H,19,22)