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

Systemtic Name: methyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H25N7O3 MolecularWeight: 471.5111

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CC(=O)OC)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CC(=O)OC)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H25N7O3/c1-31-20-11-8-17(25(34)32(15-23(33)35-2)21-5-3-4-12-28-21)13-19(20)30-22(31)14-29-18-9-6-16(7-10-18)24(26)27/h3-13,29H,14-15H2,1-2H3,(H3,26,27)