2-phenoxyethyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: 2-phenoxyethyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: 2-phenoxyethyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid 2-phenoxyethyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC2=CC=CC=C2)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC2=CC=CC=C2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O3/c21-14-16-6-7-19(22-15-16)23-10-8-17(9-11-23)20(24)26-13-12-25-18-4-2-1-3-5-18/h1-7,15,17H,8-13H2