(phenylmethyl) 1-[4-cyano-4-(4-methoxy-3-oxidanyl-phenyl)piperidin-1-yl]cyclopropane-1-carboxylate hydrochloride

Systemtic Name: (phenylmethyl) 1-[4-cyano-4-(4-methoxy-3-oxidanyl-phenyl)piperidin-1-yl]cyclopropane-1-carboxylate hydrochloride Openeye Name: benzyl 1-[4-cyano-4-(3-hydroxy-4-methoxy-phenyl)-1-piperidyl]cyclopropanecarboxylate hydrochloride CAS Name: 1-[4-cyano-4-(3-hydroxy-4-methoxyphenyl)-1-piperidinyl]-1-cyclopropanecarboxylic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 1-[4-cyano-4-(3-hydroxy-4-methoxyphenyl)piperidin-1-yl]cyclopropane-1-carboxylate hydrochloride Traditional Name: 1-[4-cyano-4-(3-hydroxy-4-methoxy-phenyl)piperidino]cyclopropanecarboxylic acid benzyl ester hydrochloride Formula: C24H27ClN2O4 MolecularWeight: 442.93518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)C#N)O.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)C#N)O.Cl

InChI

InChI=1S/C24H26N2O4.ClH/c1-29-21-8-7-19(15-20(21)27)23(17-25)11-13-26(14-12-23)24(9-10-24)22(28)30-16-18-5-3-2-4-6-18;/h2-8,15,27H,9-14,16H2,1H3;1H