1-(2-tert-butyl-4-methyl-phenoxy)-3-[2-hydroxyethyl-(phenylmethyl)amino]propan-2-ol hydrochloride

Systemtic Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[2-hydroxyethyl-(phenylmethyl)amino]propan-2-ol hydrochloride Openeye Name: 1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butyl-4-methyl-phenoxy)propan-2-ol hydrochloride CAS Name: 1-(2-tert-butyl-4-methylphenoxy)-3-[2-hydroxyethyl-(phenylmethyl)amino]-2-propanol hydrochloride IUPAC Name: 1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butyl-4-methylphenoxy)propan-2-ol hydrochloride Traditional Name: 1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butyl-4-methyl-phenoxy)propan-2-ol hydrochloride Formula: C23H34ClNO3 MolecularWeight: 407.97396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN(CCO)CC2=CC=CC=C2)O)C(C)(C)C.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(CN(CCO)CC2=CC=CC=C2)O)C(C)(C)C.Cl

InChI

InChI=1S/C23H33NO3.ClH/c1-18-10-11-22(21(14-18)23(2,3)4)27-17-20(26)16-24(12-13-25)15-19-8-6-5-7-9-19;/h5-11,14,20,25-26H,12-13,15-17H2,1-4H3;1H