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

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoyl-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoyl-2-methoxy-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[(4-carbamimidoyl-2-methoxyanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoyl-2-methoxyanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[(4-amidino-2-methoxy-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid ethyl ester Formula: C28H31N7O4 MolecularWeight: 529.59024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=C(C=C(C=C4)C(=N)N)OC)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=C(C=C(C=C4)C(=N)N)OC)C

InChI

InChI=1S/C28H31N7O4/c1-4-39-26(36)12-14-35(24-7-5-6-13-31-24)28(37)19-9-11-22-21(15-19)33-25(34(22)2)17-32-20-10-8-18(27(29)30)16-23(20)38-3/h5-11,13,15-16,32H,4,12,14,17H2,1-3H3,(H3,29,30)