[2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-(trifluoromethyl)-1-benzimidazolyl]acetic acid [2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid [2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl] ester Formula: C29H26F3N3O5 MolecularWeight: 553.52905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)COC(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F)C5=CC=CC=C5)OC

InChI

InChI=1S/C29H26F3N3O5/c1-38-23-14-19-12-13-34(27(18-8-4-3-5-9-18)20(19)15-24(23)39-2)25(36)17-40-26(37)16-35-22-11-7-6-10-21(22)33-28(35)29(30,31)32/h3-11,14-15,27H,12-13,16-17H2,1-2H3/t27-/m1/s1