2-azanyl-5-[4-(3-propan-2-ylphenoxy)phenyl]hexane-1,3-diol hydrochloride

Systemtic Name: 2-azanyl-5-[4-(3-propan-2-ylphenoxy)phenyl]hexane-1,3-diol hydrochloride Openeye Name: 2-amino-5-[4-(3-isopropylphenoxy)phenyl]hexane-1,3-diol hydrochloride CAS Name: 2-amino-5-[4-(3-propan-2-ylphenoxy)phenyl]hexane-1,3-diol hydrochloride IUPAC Name: 2-amino-5-[4-(3-propan-2-ylphenoxy)phenyl]hexane-1,3-diol hydrochloride Traditional Name: 2-amino-5-[4-(3-isopropylphenoxy)phenyl]hexane-1,3-diol hydrochloride Formula: C21H30ClNO3 MolecularWeight: 379.9208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC2=CC=C(C=C2)C(C)CC(C(CO)N)O.Cl

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC2=CC=C(C=C2)C(C)CC(C(CO)N)O.Cl

InChI

InChI=1S/C21H29NO3.ClH/c1-14(2)17-5-4-6-19(12-17)25-18-9-7-16(8-10-18)15(3)11-21(24)20(22)13-23;/h4-10,12,14-15,20-21,23-24H,11,13,22H2,1-3H3;1H