methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]-2-methyl-propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]-2-methyl-propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]-2-methylpropanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]-2-methyl-propionic acid methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C)C(=O)OC

Isomeric SMILES

CC(CNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C)C(=O)OC

InChI

InChI=1S/C21H23N5O3/c1-12(21(28)29-3)11-24-20(27)15-8-9-17-16(10-15)25-19(26(17)2)14-6-4-13(5-7-14)18(22)23/h4-10,12H,11H2,1-3H3,(H3,22,23)(H,24,27)