ethyl 1-(4-cyano-4-pyridin-2-yl-cyclohexen-1-yl)-4-phenyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-cyano-4-pyridin-2-yl-cyclohexen-1-yl)-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[4-cyano-4-(2-pyridyl)cyclohexen-1-yl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[4-cyano-4-(2-pyridinyl)-1-cyclohexenyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-cyano-4-pyridin-2-ylcyclohexen-1-yl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[4-cyano-4-(2-pyridyl)cyclohexen-1-yl]-4-phenyl-isonipecotic acid ethyl ester Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CCC(CC2)(C#N)C3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CCC(CC2)(C#N)C3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2/c1-2-31-24(30)26(21-8-4-3-5-9-21)15-18-29(19-16-26)22-11-13-25(20-27,14-12-22)23-10-6-7-17-28-23/h3-11,17H,2,12-16,18-19H2,1H3