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

Systemtic Name: methyl 4-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]butanoate Openeye Name: methyl 4-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butanoate CAS Name: 4-(N-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)butanoic acid methyl ester IUPAC Name: methyl 4-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]anilino)butanoate Traditional Name: 4-(N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butyric acid methyl ester Formula: C29H31N5O3 MolecularWeight: 497.58814

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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=C1CCC4=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=C1CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H31N5O3/c1-33-25-16-15-22(29(36)34(18-6-9-27(35)37-2)23-7-4-3-5-8-23)19-24(25)32-26(33)17-12-20-10-13-21(14-11-20)28(30)31/h3-5,7-8,10-11,13-16,19H,6,9,12,17-18H2,1-2H3,(H3,30,31)