4-[2-azanyl-5-[4-azanyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]phenoxy]butanoic acid dihydrochloride

Systemtic Name: 4-[2-azanyl-5-[4-azanyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]phenoxy]butanoic acid dihydrochloride Openeye Name: 4-[2-amino-5-[4-amino-3-(4-hydroxy-4-oxo-butoxy)phenyl]phenoxy]butanoic acid dihydrochloride CAS Name: 4-[2-amino-5-[4-amino-3-(4-hydroxy-4-oxobutoxy)phenyl]phenoxy]butanoic acid dihydrochloride IUPAC Name: 4-[2-amino-5-[4-amino-3-(4-hydroxy-4-oxobutoxy)phenyl]phenoxy]butanoic acid dihydrochloride Traditional Name: 4-[2-amino-5-[4-amino-3-(4-hydroxy-4-keto-butoxy)phenyl]phenoxy]butyric acid dihydrochloride Formula: C20H26Cl2N2O6 MolecularWeight: 461.33624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)OCCCC(=O)O)OCCCC(=O)O)N.Cl.Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)OCCCC(=O)O)OCCCC(=O)O)N.Cl.Cl

InChI

InChI=1S/C20H24N2O6.2ClH/c21-15-7-5-13(11-17(15)27-9-1-3-19(23)24)14-6-8-16(22)18(12-14)28-10-2-4-20(25)26;;/h5-8,11-12H,1-4,9-10,21-22H2,(H,23,24)(H,25,26);2*1H