1-(3-azanyl-4-phenylmethoxy-phenyl)-2-[tert-butyl-(phenylmethyl)amino]propan-1-ol hydrochloride

Systemtic Name: 1-(3-azanyl-4-phenylmethoxy-phenyl)-2-[tert-butyl-(phenylmethyl)amino]propan-1-ol hydrochloride Openeye Name: 1-(3-amino-4-benzyloxy-phenyl)-2-[benzyl(tert-butyl)amino]propan-1-ol hydrochloride CAS Name: 1-(3-amino-4-phenylmethoxyphenyl)-2-[tert-butyl-(phenylmethyl)amino]-1-propanol hydrochloride IUPAC Name: 1-(3-amino-4-phenylmethoxyphenyl)-2-[benzyl(tert-butyl)amino]propan-1-ol hydrochloride Traditional Name: 1-(3-amino-4-benzoxy-phenyl)-2-[benzyl(tert-butyl)amino]propan-1-ol hydrochloride Formula: C27H35ClN2O2 MolecularWeight: 455.032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)N)O)N(CC3=CC=CC=C3)C(C)(C)C.Cl

Isomeric SMILES

CC(C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)N)O)N(CC3=CC=CC=C3)C(C)(C)C.Cl

InChI

InChI=1S/C27H34N2O2.ClH/c1-20(29(27(2,3)4)18-21-11-7-5-8-12-21)26(30)23-15-16-25(24(28)17-23)31-19-22-13-9-6-10-14-22;/h5-17,20,26,30H,18-19,28H2,1-4H3;1H