methyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: methyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: methyl 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid methyl ester Formula: C27H28N6O3 MolecularWeight: 484.54962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H28N6O3/c1-32-23-13-10-19(27(35)33(15-14-25(34)36-2)21-6-4-3-5-7-21)16-22(23)31-24(32)17-30-20-11-8-18(9-12-20)26(28)29/h3-13,16,30H,14-15,17H2,1-2H3,(H3,28,29)