1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(phenylmethyl)piperidin-1-yl]propan-2-ol hydrochloride

Systemtic Name: 1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(phenylmethyl)piperidin-1-yl]propan-2-ol hydrochloride Openeye Name: 1-(4-benzyl-1-piperidyl)-3-(2-tert-butyl-4-methoxy-phenoxy)propan-2-ol hydrochloride CAS Name: 1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-(phenylmethyl)-1-piperidinyl]-2-propanol hydrochloride IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol hydrochloride Traditional Name: 1-(4-benzylpiperidino)-3-(2-tert-butyl-4-methoxy-phenoxy)propan-2-ol hydrochloride Formula: C26H38ClNO3 MolecularWeight: 448.03782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CN2CCC(CC2)CC3=CC=CC=C3)O.Cl

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CN2CCC(CC2)CC3=CC=CC=C3)O.Cl

InChI

InChI=1S/C26H37NO3.ClH/c1-26(2,3)24-17-23(29-4)10-11-25(24)30-19-22(28)18-27-14-12-21(13-15-27)16-20-8-6-5-7-9-20;/h5-11,17,21-22,28H,12-16,18-19H2,1-4H3;1H