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

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-ethyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-ethyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[(4-carbamimidoylanilino)methyl]-1-ethyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-ethylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-1-ethyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid ethyl ester Formula: C28H31N7O3 MolecularWeight: 513.59084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OCC)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OCC)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H31N7O3/c1-3-34-23-13-10-20(28(37)35(16-14-26(36)38-4-2)24-7-5-6-15-31-24)17-22(23)33-25(34)18-32-21-11-8-19(9-12-21)27(29)30/h5-13,15,17,32H,3-4,14,16,18H2,1-2H3,(H3,29,30)