5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)pentanenitrile

Systemtic Name: 5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)pentanenitrile Openeye Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2-(3,4,5-trimethoxyphenyl)pentanenitrile CAS Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-(3,4,5-trimethoxyphenyl)pentanenitrile IUPAC Name: 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)pentanenitrile Traditional Name: 5-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-2-(3,4,5-trimethoxyphenyl)valeronitrile Formula: C25H31ClN2O4 MolecularWeight: 458.97764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O)C#N

InChI

InChI=1S/C25H31ClN2O4/c1-30-22-15-19(16-23(31-2)24(22)32-3)18(17-27)5-4-12-28-13-10-25(29,11-14-28)20-6-8-21(26)9-7-20/h6-9,15-16,18,29H,4-5,10-14H2,1-3H3