3-[[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-[4-(methoxymethyl)phenyl]phenoxy]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-[4-(methoxymethyl)phenyl]phenoxy]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidino]methyl]benzonitrile Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

COCC1=CC=C(C=C1)C2=CC=C(C=C2)OC3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H28N2O2/c1-30-20-21-5-7-24(8-6-21)25-9-11-26(12-10-25)31-27-13-15-29(16-14-27)19-23-4-2-3-22(17-23)18-28/h2-12,17,27H,13-16,19-20H2,1H3