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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-3-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-3-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-3-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-3-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-3-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N5O3/c1-25-16-11-14(20(27)23-10-9-17(26)28-2)7-8-15(16)24-19(25)13-5-3-12(4-6-13)18(21)22/h3-8,11H,9-10H2,1-2H3,(H3,21,22)(H,23,27)