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

Systemtic Name: methyl 3-[[2-(4-carbamimidoyl-2-methyl-phenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoyl-2-methyl-phenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoyl-2-methylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoyl-2-methylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidino-2-methyl-phenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)OC

InChI

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