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

Systemtic Name: dimethyl 1-cyclopropyl-9-oxidanyl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 1-cyclopropyl-9-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-cyclopropyl-9-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-cyclopropyl-9-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 1-cyclopropyl-9-hydroxy-2-[3-(trifluoromethoxy)benzyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C26H24F3NO6 MolecularWeight: 503.46707

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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)C4CC4

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)C4CC4

InChI

InChI=1S/C26H24F3NO6/c1-34-24(32)21-11-17-8-9-18(31)12-20(17)23(16-6-7-16)30(14-22(21)25(33)35-2)13-15-4-3-5-19(10-15)36-26(27,28)29/h3-5,8-12,14,16,23,31H,6-7,13H2,1-2H3