2-(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)-1-methyl-benzimidazole-4-carboxylic acid

Systemtic Name: 2-(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)-1-methyl-benzimidazole-4-carboxylic acid Openeye Name: 2-(4-benzyloxycarbonyl-2-carbamimidoyl-phenyl)-1-methyl-benzimidazole-4-carboxylic acid CAS Name: 2-(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)-1-methyl-4-benzimidazolecarboxylic acid IUPAC Name: 2-(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)-1-methylbenzimidazole-4-carboxylic acid Traditional Name: 2-(2-amidino-4-carbobenzoxy-phenyl)-1-methyl-benzimidazole-4-carboxylic acid Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2N=C1C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N)C(=O)O

Isomeric SMILES

CN1C2=CC=CC(=C2N=C1C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C24H20N4O4/c1-28-19-9-5-8-17(23(29)30)20(19)27-22(28)16-11-10-15(12-18(16)21(25)26)24(31)32-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H3,25,26)(H,29,30)