ethyl 2-[3H-benzimidazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-(4-carbamimidoylphenoxy)propanoate dihydrochloride

Systemtic Name: ethyl 2-[3H-benzimidazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-(4-carbamimidoylphenoxy)propanoate dihydrochloride Openeye Name: ethyl 2-[3H-benzimidazol-5-yloxycarbonyl(2-pyridyl)amino]-3-(4-carbamimidoylphenoxy)propanoate dihydrochloride CAS Name: 2-[[3H-benzimidazol-5-yloxy(oxo)methyl]-(2-pyridinyl)amino]-3-(4-carbamimidoylphenoxy)propanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[3H-benzimidazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-(4-carbamimidoylphenoxy)propanoate dihydrochloride Traditional Name: 3-(4-amidinophenoxy)-2-[3H-benzimidazol-5-yloxycarbonyl(2-pyridyl)amino]propionic acid ethyl ester dihydrochloride Formula: C25H26Cl2N6O5 MolecularWeight: 561.41714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(COC1=CC=C(C=C1)C(=N)N)N(C2=CC=CC=N2)C(=O)OC3=CC4=C(C=C3)N=CN4.Cl.Cl

Isomeric SMILES

CCOC(=O)C(COC1=CC=C(C=C1)C(=N)N)N(C2=CC=CC=N2)C(=O)OC3=CC4=C(C=C3)N=CN4.Cl.Cl

InChI

InChI=1S/C25H24N6O5.2ClH/c1-2-34-24(32)21(14-35-17-8-6-16(7-9-17)23(26)27)31(22-5-3-4-12-28-22)25(33)36-18-10-11-19-20(13-18)30-15-29-19;;/h3-13,15,21H,2,14H2,1H3,(H3,26,27)(H,29,30);2*1H