[2-(4-azanylbutanoyloxy)-4-(2-azanyl-3-methoxy-3-oxidanylidene-propyl)phenyl] 4-azanylbutanoate trihydrochloride

Systemtic Name: [2-(4-azanylbutanoyloxy)-4-(2-azanyl-3-methoxy-3-oxidanylidene-propyl)phenyl] 4-azanylbutanoate trihydrochloride Openeye Name: [2-(4-aminobutanoyloxy)-4-(2-amino-3-methoxy-3-oxo-propyl)phenyl] 4-aminobutanoate trihydrochloride CAS Name: 4-aminobutanoic acid [4-(2-amino-3-methoxy-3-oxopropyl)-2-(4-amino-1-oxobutoxy)phenyl] ester trihydrochloride IUPAC Name: [2-(4-aminobutanoyloxy)-4-(2-amino-3-methoxy-3-oxopropyl)phenyl] 4-aminobutanoate trihydrochloride Traditional Name: 4-aminobutyric acid [2-(4-aminobutanoyloxy)-4-(2-amino-3-keto-3-methoxy-propyl)phenyl] ester trihydrochloride Formula: C18H30Cl3N3O6 MolecularWeight: 490.8063

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)OC(=O)CCCN)OC(=O)CCCN)N.Cl.Cl.Cl

Isomeric SMILES

COC(=O)C(CC1=CC(=C(C=C1)OC(=O)CCCN)OC(=O)CCCN)N.Cl.Cl.Cl

InChI

InChI=1S/C18H27N3O6.3ClH/c1-25-18(24)13(21)10-12-6-7-14(26-16(22)4-2-8-19)15(11-12)27-17(23)5-3-9-20;;;/h6-7,11,13H,2-5,8-10,19-21H2,1H3;3*1H