ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-3-yl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-3-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-(3-pyridyl)amino]propanoate CAS Name: 3-[[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(3-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-3-ylamino]propanoate Traditional Name: 3-[[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-(3-pyridyl)amino]propionic acid ethyl ester Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CN=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CN=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C28H30N6O3/c1-3-37-26(35)14-16-34(22-5-4-15-31-18-22)28(36)21-11-12-24-23(17-21)32-25(33(24)2)13-8-19-6-9-20(10-7-19)27(29)30/h4-7,9-12,15,17-18H,3,8,13-14,16H2,1-2H3,(H3,29,30)