ethyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexen-1-yl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexen-1-yl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexen-1-yl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[4-cyano-4-(4-fluorophenyl)-1-cyclohexenyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexen-1-yl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[4-cyano-4-(4-fluorophenyl)cyclohexen-1-yl]-4-phenyl-isonipecotic acid ethyl ester Formula: C27H29FN2O2 MolecularWeight: 432.529763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29FN2O2/c1-2-32-25(31)27(22-6-4-3-5-7-22)16-18-30(19-17-27)24-12-14-26(20-29,15-13-24)21-8-10-23(28)11-9-21/h3-12H,2,13-19H2,1H3