1-[di(propan-2-yl)amino]-3-(2-phenoxyphenoxy)propan-2-ol hydrate dihydrochloride

Systemtic Name: 1-[di(propan-2-yl)amino]-3-(2-phenoxyphenoxy)propan-2-ol hydrate dihydrochloride Openeye Name: 1-(diisopropylamino)-3-(2-phenoxyphenoxy)propan-2-ol hydrate dihydrochloride CAS Name: 1-[di(propan-2-yl)amino]-3-(2-phenoxyphenoxy)-2-propanol hydrate dihydrochloride IUPAC Name: 1-[di(propan-2-yl)amino]-3-(2-phenoxyphenoxy)propan-2-ol hydrate dihydrochloride Traditional Name: 1-(diisopropylamino)-3-(2-phenoxyphenoxy)propan-2-ol hydrate dihydrochloride Formula: C42H62Cl2N2O7 MolecularWeight: 777.85688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(COC1=CC=CC=C1OC2=CC=CC=C2)O)C(C)C.CC(C)N(CC(COC1=CC=CC=C1OC2=CC=CC=C2)O)C(C)C.O.Cl.Cl

Isomeric SMILES

CC(C)N(CC(COC1=CC=CC=C1OC2=CC=CC=C2)O)C(C)C.CC(C)N(CC(COC1=CC=CC=C1OC2=CC=CC=C2)O)C(C)C.O.Cl.Cl

InChI

InChI=1S/2C21H29NO3.2ClH.H2O/c2*1-16(2)22(17(3)4)14-18(23)15-24-20-12-8-9-13-21(20)25-19-10-6-5-7-11-19;;;/h2*5-13,16-18,23H,14-15H2,1-4H3;2*1H;1H2