methyl 4-[3-(4-cyanophenyl)-1-(4-oxidanylpiperidin-4-yl)propoxy]benzoate hydrochloride

Systemtic Name: methyl 4-[3-(4-cyanophenyl)-1-(4-oxidanylpiperidin-4-yl)propoxy]benzoate hydrochloride Openeye Name: methyl 4-[3-(4-cyanophenyl)-1-(4-hydroxy-4-piperidyl)propoxy]benzoate hydrochloride CAS Name: 4-[3-(4-cyanophenyl)-1-(4-hydroxy-4-piperidinyl)propoxy]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[3-(4-cyanophenyl)-1-(4-hydroxypiperidin-4-yl)propoxy]benzoate hydrochloride Traditional Name: 4-[3-(4-cyanophenyl)-1-(4-hydroxy-4-piperidyl)propoxy]benzoic acid methyl ester hydrochloride Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)C#N)C3(CCNCC3)O.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(CCC2=CC=C(C=C2)C#N)C3(CCNCC3)O.Cl

InChI

InChI=1S/C23H26N2O4.ClH/c1-28-22(26)19-7-9-20(10-8-19)29-21(23(27)12-14-25-15-13-23)11-6-17-2-4-18(16-24)5-3-17;/h2-5,7-10,21,25,27H,6,11-15H2,1H3;1H