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

Systemtic Name: ethyl 3-[[4-[(2Z)-2-azanyl-1-(methylamino)-2-octoxycarbonylimino-1-phenyl-ethyl]-1H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[4-[(2Z)-2-amino-1-(methylamino)-2-octoxycarbonylimino-1-phenyl-ethyl]-1H-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoate CAS Name: 3-[[[4-[(2Z)-2-amino-1-(methylamino)-2-[octoxy(oxo)methyl]imino-1-phenylethyl]-1H-benzimidazol-5-yl]oxy-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(2Z)-2-amino-1-(methylamino)-2-octoxycarbonylimino-1-phenylethyl]-1H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoate Traditional Name: 3-[[4-[(2Z)-2-amino-1-(methylamino)-2-octoxycarbonylimino-1-phenyl-ethyl]-1H-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid ethyl ester Formula: C36H45N7O6 MolecularWeight: 671.7858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=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

CCCCCCCCOC(=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/C36H45N7O6/c1-4-6-7-8-9-15-24-48-34(45)42-33(37)36(38-3,26-16-11-10-12-17-26)31-28(20-19-27-32(31)41-25-40-27)49-35(46)43(23-21-30(44)47-5-2)29-18-13-14-22-39-29/h10-14,16-20,22,25,38H,4-9,15,21,23-24H2,1-3H3,(H,40,41)(H2,37,42,45)