[4-[(1-phenylpiperidin-4-yl)methyl]phenyl]methyl 3,5-dimethoxybenzoate

Systemtic Name: [4-[(1-phenylpiperidin-4-yl)methyl]phenyl]methyl 3,5-dimethoxybenzoate Openeye Name: [4-[(1-phenyl-4-piperidyl)methyl]phenyl]methyl 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [4-[(1-phenyl-4-piperidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-[(1-phenylpiperidin-4-yl)methyl]phenyl]methyl 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [4-[(1-phenyl-4-piperidyl)methyl]benzyl] ester Formula: C28H31NO4 MolecularWeight: 445.55004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)CC3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)CC3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H31NO4/c1-31-26-17-24(18-27(19-26)32-2)28(30)33-20-23-10-8-21(9-11-23)16-22-12-14-29(15-13-22)25-6-4-3-5-7-25/h3-11,17-19,22H,12-16,20H2,1-2H3