methyl 2-oxidanyl-5-[1-oxidanyl-2-[4-(phenylmethyl)piperidin-1-yl]propyl]benzoate hydrochloride

Systemtic Name: methyl 2-oxidanyl-5-[1-oxidanyl-2-[4-(phenylmethyl)piperidin-1-yl]propyl]benzoate hydrochloride Openeye Name: methyl 5-[2-(4-benzyl-1-piperidyl)-1-hydroxy-propyl]-2-hydroxy-benzoate hydrochloride CAS Name: 2-hydroxy-5-[1-hydroxy-2-[4-(phenylmethyl)-1-piperidinyl]propyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-2-hydroxybenzoate hydrochloride Traditional Name: 5-[2-(4-benzylpiperidino)-1-hydroxy-propyl]-2-hydroxy-benzoic acid methyl ester hydrochloride Formula: C23H30ClNO4 MolecularWeight: 419.9416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C=C1)O)C(=O)OC)O)N2CCC(CC2)CC3=CC=CC=C3.Cl

Isomeric SMILES

CC(C(C1=CC(=C(C=C1)O)C(=O)OC)O)N2CCC(CC2)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C23H29NO4.ClH/c1-16(22(26)19-8-9-21(25)20(15-19)23(27)28-2)24-12-10-18(11-13-24)14-17-6-4-3-5-7-17;/h3-9,15-16,18,22,25-26H,10-14H2,1-2H3;1H