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

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]methyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]methyl-(2-pyridyl)amino]propanoate CAS Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]methyl-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]methyl-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]methyl-(2-pyridyl)amino]propionic acid ethyl ester Formula: C27H31N7O2 MolecularWeight: 485.58074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)CCN(CC1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)C4=CC=CC=N4

InChI

InChI=1S/C27H31N7O2/c1-3-36-26(35)13-15-34(24-6-4-5-14-30-24)18-19-7-12-23-22(16-19)32-25(33(23)2)17-31-21-10-8-20(9-11-21)27(28)29/h4-12,14,16,31H,3,13,15,17-18H2,1-2H3,(H3,28,29)