3-[(3R,5S)-1-[(4-methoxyphenyl)methyl]-3,5-dimethyl-4-oxidanyl-piperidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[(3R,5S)-1-[(4-methoxyphenyl)methyl]-3,5-dimethyl-4-oxidanyl-piperidin-4-yl]benzenecarbonitrile Openeye Name: 3-[(3R,5S)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,5-dimethyl-4-piperidyl]benzonitrile CAS Name: 3-[(3R,5S)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,5-dimethyl-4-piperidinyl]benzonitrile IUPAC Name: 3-[(3R,5S)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3,5-dimethylpiperidin-4-yl]benzonitrile Traditional Name: 3-[(3R,5S)-4-hydroxy-3,5-dimethyl-1-p-anisyl-4-piperidyl]benzonitrile Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1(C2=CC=CC(=C2)C#N)O)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H]1CN(C[C@@H](C1(C2=CC=CC(=C2)C#N)O)C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O2/c1-16-13-24(15-18-7-9-21(26-3)10-8-18)14-17(2)22(16,25)20-6-4-5-19(11-20)12-23/h4-11,16-17,25H,13-15H2,1-3H3/t16-,17+,22?