ethyl 3-[[4-[(2Z)-2-azanyl-2-hexoxycarbonylimino-1-(methylamino)-1-phenyl-ethyl]-1H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[4-[(2Z)-2-azanyl-2-hexoxycarbonylimino-1-(methylamino)-1-phenyl-ethyl]-1H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[4-[(2Z)-2-amino-2-hexoxycarbonylimino-1-(methylamino)-1-phenyl-ethyl]-1H-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoate CAS Name: 3-[[[4-[(2Z)-2-amino-2-[hexoxy(oxo)methyl]imino-1-(methylamino)-1-phenylethyl]-1H-benzimidazol-5-yl]oxy-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(2Z)-2-amino-2-hexoxycarbonylimino-1-(methylamino)-1-phenylethyl]-1H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoate Traditional Name: 3-[[4-[(2Z)-2-amino-2-hexoxycarbonylimino-1-(methylamino)-1-phenyl-ethyl]-1H-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid ethyl ester Formula: C34H41N7O6 MolecularWeight: 643.73264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)N=C(C(C1=CC=CC=C1)(C2=C(C=CC3=C2N=CN3)OC(=O)N(CCC(=O)OCC)C4=CC=CC=N4)NC)N

Isomeric SMILES

CCCCCCOC(=O)/N=C(/C(C1=CC=CC=C1)(C2=C(C=CC3=C2N=CN3)OC(=O)N(CCC(=O)OCC)C4=CC=CC=N4)NC)\N

InChI

InChI=1S/C34H41N7O6/c1-4-6-7-13-22-46-32(43)40-31(35)34(36-3,24-14-9-8-10-15-24)29-26(18-17-25-30(29)39-23-38-25)47-33(44)41(21-19-28(42)45-5-2)27-16-11-12-20-37-27/h8-12,14-18,20,23,36H,4-7,13,19,21-22H2,1-3H3,(H,38,39)(H2,35,40,43)