[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl] benzoate hydrochloride

Systemtic Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl] benzoate hydrochloride Openeye Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidyl] benzoate hydrochloride CAS Name: benzoic acid [1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinyl] ester hydrochloride IUPAC Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl] benzoate hydrochloride Traditional Name: benzoic acid (1-homoveratryl-4-piperidyl) ester hydrochloride Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCC(CC2)OC(=O)C3=CC=CC=C3)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCC(CC2)OC(=O)C3=CC=CC=C3)OC.Cl

InChI

InChI=1S/C22H27NO4.ClH/c1-25-20-9-8-17(16-21(20)26-2)10-13-23-14-11-19(12-15-23)27-22(24)18-6-4-3-5-7-18;/h3-9,16,19H,10-15H2,1-2H3;1H