methyl 3-[4-[1-[6-[4-(1-adamantyl)phenoxy]-1H-benzimidazol-2-yl]ethoxy]phenyl]-2-[(4-fluorophenyl)methoxy]propanoate

Systemtic Name: methyl 3-[4-[1-[6-[4-(1-adamantyl)phenoxy]-1H-benzimidazol-2-yl]ethoxy]phenyl]-2-[(4-fluorophenyl)methoxy]propanoate Openeye Name: methyl 3-[4-[1-[6-[4-(1-adamantyl)phenoxy]-1H-benzimidazol-2-yl]ethoxy]phenyl]-2-[(4-fluorophenyl)methoxy]propanoate CAS Name: 3-[4-[1-[6-[4-(1-adamantyl)phenoxy]-1H-benzimidazol-2-yl]ethoxy]phenyl]-2-[(4-fluorophenyl)methoxy]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-[6-[4-(1-adamantyl)phenoxy]-1H-benzimidazol-2-yl]ethoxy]phenyl]-2-[(4-fluorophenyl)methoxy]propanoate Traditional Name: 3-[4-[1-[6-[4-(1-adamantyl)phenoxy]-1H-benzimidazol-2-yl]ethoxy]phenyl]-2-(4-fluorobenzyl)oxy-propionic acid methyl ester Formula: C42H43FN2O5 MolecularWeight: 674.799623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)OC7=CC=C(C=C7)CC(C(=O)OC)OCC8=CC=C(C=C8)F

Isomeric SMILES

CC(C1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)OC7=CC=C(C=C7)CC(C(=O)OC)OCC8=CC=C(C=C8)F

InChI

InChI=1S/C42H43FN2O5/c1-26(49-34-11-5-27(6-12-34)20-39(41(46)47-2)48-25-28-3-9-33(43)10-4-28)40-44-37-16-15-36(21-38(37)45-40)50-35-13-7-32(8-14-35)42-22-29-17-30(23-42)19-31(18-29)24-42/h3-16,21,26,29-31,39H,17-20,22-25H2,1-2H3,(H,44,45)