1-(2-tert-butyl-4-methyl-phenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol hydrochloride

Systemtic Name: 1-(2-tert-butyl-4-methyl-phenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol hydrochloride Openeye Name: 1-(2-tert-butyl-4-methyl-phenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol hydrochloride CAS Name: 1-(2-tert-butyl-4-methylphenoxy)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-propanol hydrochloride IUPAC Name: 1-(2-tert-butyl-4-methylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol hydrochloride Traditional Name: 1-(2-tert-butyl-4-methyl-phenoxy)-1-[4-(2-methoxyphenyl)piperazino]propan-2-ol hydrochloride Formula: C25H37ClN2O3 MolecularWeight: 449.02588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C(C)O)N2CCN(CC2)C3=CC=CC=C3OC)C(C)(C)C.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C(C)O)N2CCN(CC2)C3=CC=CC=C3OC)C(C)(C)C.Cl

InChI

InChI=1S/C25H36N2O3.ClH/c1-18-11-12-22(20(17-18)25(3,4)5)30-24(19(2)28)27-15-13-26(14-16-27)21-9-7-8-10-23(21)29-6;/h7-12,17,19,24,28H,13-16H2,1-6H3;1H