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

Systemtic Name: ethyl 3-[[4-[(2Z)-2-azanyl-2-butoxycarbonylimino-1-(methylamino)-1-phenyl-ethyl]-1H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[4-[(2Z)-2-amino-2-butoxycarbonylimino-1-(methylamino)-1-phenyl-ethyl]-1H-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoate CAS Name: 3-[[[4-[(2Z)-2-amino-2-[butoxy(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-butoxycarbonylimino-1-(methylamino)-1-phenylethyl]-1H-benzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoate Traditional Name: 3-[[4-[(2Z)-2-amino-2-butoxycarbonylimino-1-(methylamino)-1-phenyl-ethyl]-1H-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid ethyl ester Formula: C32H37N7O6 MolecularWeight: 615.67948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=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

CCCCOC(=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/C32H37N7O6/c1-4-6-20-44-30(41)38-29(33)32(34-3,22-12-8-7-9-13-22)27-24(16-15-23-28(27)37-21-36-23)45-31(42)39(19-17-26(40)43-5-2)25-14-10-11-18-35-25/h7-16,18,21,34H,4-6,17,19-20H2,1-3H3,(H,36,37)(H2,33,38,41)