methyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate

Systemtic Name: methyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Openeye Name: methyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Traditional Name: 3-[3,5-bis(trifluoromethyl)benzyl]oxy-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester Formula: C22H18F6O3 MolecularWeight: 444.366939

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCC1)C=CC(=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(CCC1)C=CC(=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H18F6O3/c1-30-20(29)15-4-2-3-14-5-6-19(10-16(14)9-15)31-12-13-7-17(21(23,24)25)11-18(8-13)22(26,27)28/h5-11H,2-4,12H2,1H3