methyl 4-[2-oxidanyl-3-[4-(phenylmethyl)piperidin-1-yl]propoxy]benzoate hydrochloride

Systemtic Name: methyl 4-[2-oxidanyl-3-[4-(phenylmethyl)piperidin-1-yl]propoxy]benzoate hydrochloride Openeye Name: methyl 4-[3-(4-benzyl-1-piperidyl)-2-hydroxy-propoxy]benzoate hydrochloride CAS Name: 4-[2-hydroxy-3-[4-(phenylmethyl)-1-piperidinyl]propoxy]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]benzoate hydrochloride Traditional Name: 4-[3-(4-benzylpiperidino)-2-hydroxy-propoxy]benzoic acid methyl ester hydrochloride Formula: C23H30ClNO4 MolecularWeight: 419.9416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCC(CC2)CC3=CC=CC=C3)O.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2CCC(CC2)CC3=CC=CC=C3)O.Cl

InChI

InChI=1S/C23H29NO4.ClH/c1-27-23(26)20-7-9-22(10-8-20)28-17-21(25)16-24-13-11-19(12-14-24)15-18-5-3-2-4-6-18;/h2-10,19,21,25H,11-17H2,1H3;1H