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

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoate dihydrochloride Openeye Name: ethyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetate dihydrochloride CAS Name: 2-[[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]acetate dihydrochloride Traditional Name: 2-[[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetic acid ethyl ester dihydrochloride Formula: C26H28Cl2N6O4 MolecularWeight: 559.44432

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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)COC4=CC=C(C=C4)C(=N)N)C.Cl.Cl

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C(=N)N)C.Cl.Cl

InChI

InChI=1S/C26H26N6O4.2ClH/c1-3-35-24(33)15-32(22-6-4-5-13-29-22)26(34)18-9-12-21-20(14-18)30-23(31(21)2)16-36-19-10-7-17(8-11-19)25(27)28;;/h4-14H,3,15-16H2,1-2H3,(H3,27,28);2*1H