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

Systemtic Name: ethyl 1-[4-cyano-4-(4-methoxyphenyl)cyclohexen-1-yl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[4-cyano-4-(4-methoxyphenyl)cyclohexen-1-yl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[4-cyano-4-(4-methoxyphenyl)-1-cyclohexenyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-cyano-4-(4-methoxyphenyl)cyclohexen-1-yl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[4-cyano-4-(4-methoxyphenyl)cyclohexen-1-yl]-4-phenyl-isonipecotic acid ethyl ester Formula: C28H32N2O3 MolecularWeight: 444.56528

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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)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O3/c1-3-33-26(31)28(23-7-5-4-6-8-23)17-19-30(20-18-28)24-13-15-27(21-29,16-14-24)22-9-11-25(32-2)12-10-22/h4-13H,3,14-20H2,1-2H3