4-[[(3S,4S)-1-butyl-4-phenyl-piperidin-3-yl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[(3S,4S)-1-butyl-4-phenyl-piperidin-3-yl]methoxy]benzenecarbonitrile Openeye Name: 4-[[(3S,4S)-1-butyl-4-phenyl-3-piperidyl]methoxy]benzonitrile CAS Name: 4-[[(3S,4S)-1-butyl-4-phenyl-3-piperidinyl]methoxy]benzonitrile IUPAC Name: 4-[[(3S,4S)-1-butyl-4-phenylpiperidin-3-yl]methoxy]benzonitrile Traditional Name: 4-[[(3S,4S)-1-butyl-4-phenyl-3-piperidyl]methoxy]benzonitrile Formula: C23H28N2O MolecularWeight: 348.48122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)COC2=CC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCN1CC[C@@H]([C@@H](C1)COC2=CC=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O/c1-2-3-14-25-15-13-23(20-7-5-4-6-8-20)21(17-25)18-26-22-11-9-19(16-24)10-12-22/h4-12,21,23H,2-3,13-15,17-18H2,1H3/t21-,23+/m0/s1