methyl 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanyl-piperidin-4-yl]-2-phenyl-ethanoate hydrochloride

Systemtic Name: methyl 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanyl-piperidin-4-yl]-2-phenyl-ethanoate hydrochloride Openeye Name: methyl 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-hydroxy-4-piperidyl]-2-phenyl-acetate hydrochloride CAS Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-hydroxy-4-piperidinyl]-2-phenylacetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-hydroxypiperidin-4-yl]-2-phenylacetate hydrochloride Traditional Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-hydroxy-4-piperidyl]-2-phenyl-acetic acid methyl ester hydrochloride Formula: C23H28ClNO5 MolecularWeight: 433.92512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)C2(CCN(CC2)CC3COC4=CC=CC=C4O3)O.Cl

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)C2(CCN(CC2)CC3COC4=CC=CC=C4O3)O.Cl

InChI

InChI=1S/C23H27NO5.ClH/c1-27-22(25)21(17-7-3-2-4-8-17)23(26)11-13-24(14-12-23)15-18-16-28-19-9-5-6-10-20(19)29-18;/h2-10,18,21,26H,11-16H2,1H3;1H