ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetate CAS Name: 2-[[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]acetate Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetic acid ethyl ester Formula: C26H27N7O3 MolecularWeight: 485.53768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N7O3/c1-3-36-24(34)16-33(22-6-4-5-13-29-22)26(35)18-9-12-21-20(14-18)31-23(32(21)2)15-30-19-10-7-17(8-11-19)25(27)28/h4-14,30H,3,15-16H2,1-2H3,(H3,27,28)