methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylphenyl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylphenyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(m-tolyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(3-methylphenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylphenyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(m-tolyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C26H25N5O3 MolecularWeight: 455.5084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=C(C=C3)C(=O)NCCC(=O)OC)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=C(C=C3)C(=O)NCCC(=O)OC)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H25N5O3/c1-16-4-3-5-20(14-16)31-22-11-10-19(26(33)29-13-12-23(32)34-2)15-21(22)30-25(31)18-8-6-17(7-9-18)24(27)28/h3-11,14-15H,12-13H2,1-2H3,(H3,27,28)(H,29,33)