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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]-2,2-dimethyl-propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]-2,2-dimethylpropanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]-2,2-dimethyl-propionic acid methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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(C)(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/C22H25N5O3/c1-22(2,21(29)30-4)12-25-20(28)15-9-10-17-16(11-15)26-19(27(17)3)14-7-5-13(6-8-14)18(23)24/h5-11H,12H2,1-4H3,(H3,23,24)(H,25,28)