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

Systemtic Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetate CAS Name: 2-[[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]acetate Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetic acid ethyl ester Formula: C27H28N6O3 MolecularWeight: 484.54962

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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)CCC4=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)CCC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C27H28N6O3/c1-3-36-25(34)17-33(23-6-4-5-15-30-23)27(35)20-12-13-22-21(16-20)31-24(32(22)2)14-9-18-7-10-19(11-8-18)26(28)29/h4-8,10-13,15-16H,3,9,14,17H2,1-2H3,(H3,28,29)