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

Systemtic Name: methyl 2-[[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]methyl]-4-phenyl-butanoate Openeye Name: methyl 2-[[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]methyl]-4-phenyl-butanoate CAS Name: 2-[[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]methyl]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]methyl]-4-phenylbutanoate Traditional Name: 2-[[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]methyl]-4-phenyl-butyric acid methyl ester Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCC(CCC3=CC=CC=C3)C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCC(CCC3=CC=CC=C3)C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H29N5O3/c1-33-24-15-14-21(16-23(24)32-26(33)20-12-10-19(11-13-20)25(29)30)27(34)31-17-22(28(35)36-2)9-8-18-6-4-3-5-7-18/h3-7,10-16,22H,8-9,17H2,1-2H3,(H3,29,30)(H,31,34)