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

Systemtic Name: methyl 4-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]butanoate Openeye Name: methyl 4-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butanoate CAS Name: 4-(N-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)butanoic acid methyl ester IUPAC Name: methyl 4-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)butanoate Traditional Name: 4-(N-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butyric acid methyl ester Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H30N6O3/c1-33-24-15-12-20(28(36)34(16-6-9-26(35)37-2)22-7-4-3-5-8-22)17-23(24)32-25(33)18-31-21-13-10-19(11-14-21)27(29)30/h3-5,7-8,10-15,17,31H,6,9,16,18H2,1-2H3,(H3,29,30)