dimethyl 1-ethenyl-9-oxidanyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl 1-ethenyl-9-oxidanyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 9-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-ethenyl-9-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-ethenyl-9-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-2-[3-(trifluoromethoxy)benzyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C25H22F3NO6 MolecularWeight: 489.44049

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=CC(=CC=C3)OC(F)(F)F)C=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=CC(=CC=C3)OC(F)(F)F)C=C

InChI

InChI=1S/C25H22F3NO6/c1-4-22-19-12-17(30)9-8-16(19)11-20(23(31)33-2)21(24(32)34-3)14-29(22)13-15-6-5-7-18(10-15)35-25(26,27)28/h4-12,14,22,30H,1,13H2,2-3H3