2-[2-azanyl-4-[2-(3-phenylpropoxy)phenoxy]phenyl]hexane-1,3-diol hydrochloride

Systemtic Name: 2-[2-azanyl-4-[2-(3-phenylpropoxy)phenoxy]phenyl]hexane-1,3-diol hydrochloride Openeye Name: 2-[2-amino-4-[2-(3-phenylpropoxy)phenoxy]phenyl]hexane-1,3-diol hydrochloride CAS Name: 2-[2-amino-4-[2-(3-phenylpropoxy)phenoxy]phenyl]hexane-1,3-diol hydrochloride IUPAC Name: 2-[2-amino-4-[2-(3-phenylpropoxy)phenoxy]phenyl]hexane-1,3-diol hydrochloride Traditional Name: 2-[2-amino-4-[2-(3-phenylpropoxy)phenoxy]phenyl]hexane-1,3-diol hydrochloride Formula: C27H34ClNO4 MolecularWeight: 472.01616

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CO)C1=C(C=C(C=C1)OC2=CC=CC=C2OCCCC3=CC=CC=C3)N)O.Cl

Isomeric SMILES

CCCC(C(CO)C1=C(C=C(C=C1)OC2=CC=CC=C2OCCCC3=CC=CC=C3)N)O.Cl

InChI

InChI=1S/C27H33NO4.ClH/c1-2-9-25(30)23(19-29)22-16-15-21(18-24(22)28)32-27-14-7-6-13-26(27)31-17-8-12-20-10-4-3-5-11-20;/h3-7,10-11,13-16,18,23,25,29-30H,2,8-9,12,17,19,28H2,1H3;1H