methyl 8-phenyl-1,3-bis(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzoxepine-5-carboxylate

Systemtic Name: methyl 8-phenyl-1,3-bis(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzoxepine-5-carboxylate Openeye Name: methyl 8-phenyl-1,3-bis(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzoxepine-5-carboxylate CAS Name: 8-phenyl-1,3-bis(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzoxepin-5-carboxylic acid methyl ester IUPAC Name: methyl 8-phenyl-1,3-bis(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzoxepine-5-carboxylate Traditional Name: 8-phenyl-1,3-bis(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzoxepin-5-carboxylic acid methyl ester Formula: C24H16F6O3 MolecularWeight: 466.372459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=CC(=CC(=C2C3=CC=CC(=C3CO1)C4=CC=CC=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1C2=CC(=CC(=C2C3=CC=CC(=C3CO1)C4=CC=CC=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H16F6O3/c1-32-22(31)21-17-10-14(23(25,26)27)11-19(24(28,29)30)20(17)16-9-5-8-15(18(16)12-33-21)13-6-3-2-4-7-13/h2-11,21H,12H2,1H3