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

Systemtic Name: ethyl 5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-cyano-2-phenyl-pentanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H29ClN2O3 MolecularWeight: 440.96236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN2O3/c1-2-31-23(29)24(19-27,20-7-4-3-5-8-20)13-6-16-28-17-14-25(30,15-18-28)21-9-11-22(26)12-10-21/h3-5,7-12,30H,2,6,13-18H2,1H3