2-[(3R)-1-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]piperidin-3-yl]-2,2-diphenyl-ethanenitrile

Systemtic Name: 2-[(3R)-1-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]piperidin-3-yl]-2,2-diphenyl-ethanenitrile Openeye Name: 2-[(3R)-1-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-3-piperidyl]-2,2-diphenyl-acetonitrile CAS Name: 2-[(3R)-1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-piperidinyl]-2,2-diphenylacetonitrile IUPAC Name: 2-[(3R)-1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]piperidin-3-yl]-2,2-diphenylacetonitrile Traditional Name: 2-[(3R)-1-homovanillyl-3-piperidyl]-2,2-diphenyl-acetonitrile Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCN2CCCC(C2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCN2CCC[C@@H](C2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H30N2O2/c1-32-27-19-22(14-15-26(27)31)16-18-30-17-8-13-25(20-30)28(21-29,23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-15,19,25,31H,8,13,16-18,20H2,1H3/t25-/m0/s1