ethyl 7-[4-(trifluoromethyloxy)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 7-[4-(trifluoromethyloxy)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C20H17F3O4 MolecularWeight: 378.34179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)OC(F)(F)F)OCC1

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)OC(F)(F)F)OCC1

InChI

InChI=1S/C20H17F3O4/c1-2-25-19(24)15-9-10-26-18-8-5-14(11-16(18)12-15)13-3-6-17(7-4-13)27-20(21,22)23/h3-8,11-12H,2,9-10H2,1H3