methyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate hydrochloride

Systemtic Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-2-imidazolyl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methylimidazol-2-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[4-(4-amidinophenyl)-1-methyl-imidazol-2-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C21H23ClN4O2 MolecularWeight: 398.88592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H22N4O2.ClH/c1-25-13-18(15-8-10-16(11-9-15)20(22)23)24-21(25)17-6-3-14(4-7-17)5-12-19(26)27-2;/h3-4,6-11,13H,5,12H2,1-2H3,(H3,22,23);1H