methyl 5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-cyano-2-phenyl-pentanoate

Systemtic Name: methyl 5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-cyano-2-phenyl-pentanoate Openeye Name: methyl 5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2-cyano-2-phenyl-pentanoate CAS Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-cyano-2-phenylpentanoic acid methyl ester IUPAC Name: methyl 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-cyano-2-phenylpentanoate Traditional Name: 5-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-2-cyano-2-phenyl-valeric acid methyl ester Formula: C24H27ClN2O3 MolecularWeight: 426.93578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C#N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C24H27ClN2O3/c1-30-22(28)23(18-26,19-6-3-2-4-7-19)12-5-15-27-16-13-24(29,14-17-27)20-8-10-21(25)11-9-20/h2-4,6-11,29H,5,12-17H2,1H3