[2-(piperidin-1-ylmethyl)phenyl]methyl 3-methylbenzoate hydrochloride

Systemtic Name: [2-(piperidin-1-ylmethyl)phenyl]methyl 3-methylbenzoate hydrochloride Openeye Name: [2-(1-piperidylmethyl)phenyl]methyl 3-methylbenzoate hydrochloride CAS Name: 3-methylbenzoic acid [2-(1-piperidinylmethyl)phenyl]methyl ester hydrochloride IUPAC Name: [2-(piperidin-1-ylmethyl)phenyl]methyl 3-methylbenzoate hydrochloride Traditional Name: 3-methylbenzoic acid [2-(piperidinomethyl)benzyl] ester hydrochloride Formula: C21H26ClNO2 MolecularWeight: 359.88964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2CN3CCCCC3.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2CN3CCCCC3.Cl

InChI

InChI=1S/C21H25NO2.ClH/c1-17-8-7-11-18(14-17)21(23)24-16-20-10-4-3-9-19(20)15-22-12-5-2-6-13-22;/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3;1H