ethyl 1-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]methyl]-2-methyl-imidazole-4-carboxylate

Systemtic Name: ethyl 1-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]methyl]-2-methyl-imidazole-4-carboxylate Openeye Name: ethyl 1-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]methyl]-2-methyl-imidazole-4-carboxylate CAS Name: 1-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]methyl]-2-methyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]methyl]-2-methylimidazole-4-carboxylate Traditional Name: 1-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]methyl]-2-methyl-imidazole-4-carboxylic acid ethyl ester Formula: C24H27N7O2 MolecularWeight: 445.51688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=N1)C)CC2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)C1=CN(C(=N1)C)CC2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C24H27N7O2/c1-4-33-24(32)20-14-31(15(2)28-20)13-16-5-10-21-19(11-16)29-22(30(21)3)12-27-18-8-6-17(7-9-18)23(25)26/h5-11,14,27H,4,12-13H2,1-3H3,(H3,25,26)