1-[1-[3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-4-phenyl-piperidin-4-yl]ethanone hydrochloride

Systemtic Name: 1-[1-[3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-4-phenyl-piperidin-4-yl]ethanone hydrochloride Openeye Name: 1-[1-[2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-4-phenyl-4-piperidyl]ethanone hydrochloride CAS Name: 1-[1-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-4-phenyl-4-piperidinyl]ethanone hydrochloride IUPAC Name: 1-[1-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-4-phenylpiperidin-4-yl]ethanone hydrochloride Traditional Name: 1-[1-[2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-4-phenyl-4-piperidyl]ethanone hydrochloride Formula: C26H36ClNO3 MolecularWeight: 446.02194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCC(CC2)(C3=CC=CC=C3)C(=O)C)O.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCC(CC2)(C3=CC=CC=C3)C(=O)C)O.Cl

InChI

InChI=1S/C26H35NO3.ClH/c1-19(2)24-11-10-20(3)16-25(24)30-18-23(29)17-27-14-12-26(13-15-27,21(4)28)22-8-6-5-7-9-22;/h5-11,16,19,23,29H,12-15,17-18H2,1-4H3;1H