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

Systemtic Name: methyl 8-phenyl-2-(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzoxepine-5-carboxylate Openeye Name: methyl 8-phenyl-2-(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzoxepine-5-carboxylate CAS Name: 8-phenyl-2-(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzoxepin-5-carboxylic acid methyl ester IUPAC Name: methyl 8-phenyl-2-(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzoxepine-5-carboxylate Traditional Name: 8-phenyl-2-(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzoxepin-5-carboxylic acid methyl ester Formula: C23H17F3O3 MolecularWeight: 398.37449

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=C(C=C(C=C2)C(F)(F)F)C3=CC=CC(=C3CO1)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1C2=C(C=C(C=C2)C(F)(F)F)C3=CC=CC(=C3CO1)C4=CC=CC=C4

InChI

InChI=1S/C23H17F3O3/c1-28-22(27)21-18-11-10-15(23(24,25)26)12-19(18)17-9-5-8-16(20(17)13-29-21)14-6-3-2-4-7-14/h2-12,21H,13H2,1H3