methyl 2-azanyl-3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]propanoate dihydrochloride

Systemtic Name: methyl 2-azanyl-3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]propanoate dihydrochloride Openeye Name: methyl 2-amino-3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]phenyl]propanoate dihydrochloride CAS Name: 2-amino-3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]phenyl]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 2-amino-3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]phenyl]propanoate dihydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]phenyl]-2-amino-propionic acid methyl ester dihydrochloride Formula: C20H23Cl2N5O3 MolecularWeight: 452.33432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N)N.Cl.Cl

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N)N.Cl.Cl

InChI

InChI=1S/C20H21N5O3.2ClH/c1-28-19(26)17(21)12-13-2-6-15(7-3-13)24-10-11-25(20(24)27)16-8-4-14(5-9-16)18(22)23;;/h2-11,17H,12,21H2,1H3,(H3,22,23);2*1H