[4-(2-methylphenyl)-1-(phenylmethyl)piperidin-4-yl] benzoate hydrochloride

Systemtic Name: [4-(2-methylphenyl)-1-(phenylmethyl)piperidin-4-yl] benzoate hydrochloride Openeye Name: [1-benzyl-4-(o-tolyl)-4-piperidyl] benzoate hydrochloride CAS Name: benzoic acid [4-(2-methylphenyl)-1-(phenylmethyl)-4-piperidinyl] ester hydrochloride IUPAC Name: [1-benzyl-4-(2-methylphenyl)piperidin-4-yl] benzoate hydrochloride Traditional Name: benzoic acid [1-benzyl-4-(o-tolyl)-4-piperidyl] ester hydrochloride Formula: C26H28ClNO2 MolecularWeight: 421.95902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCN(CC2)CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

CC1=CC=CC=C1C2(CCN(CC2)CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C26H27NO2.ClH/c1-21-10-8-9-15-24(21)26(29-25(28)23-13-6-3-7-14-23)16-18-27(19-17-26)20-22-11-4-2-5-12-22;/h2-15H,16-20H2,1H3;1H