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

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-3-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(3-pyridyl)amino]propanoate CAS Name: 3-[[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]-(3-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]oxycarbonyl-pyridin-3-ylamino]propanoate Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(3-pyridyl)amino]propionic acid ethyl ester Formula: C27H29N7O4 MolecularWeight: 515.56366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CN=CC=C1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CN=CC=C1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C27H29N7O4/c1-3-37-25(35)12-14-34(20-5-4-13-30-16-20)27(36)38-21-10-11-23-22(15-21)32-24(33(23)2)17-31-19-8-6-18(7-9-19)26(28)29/h4-11,13,15-16,31H,3,12,14,17H2,1-2H3,(H3,28,29)