7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylic acid

Systemtic Name: 7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylic acid Openeye Name: 7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylic acid CAS Name: 7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid IUPAC Name: 7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylic acid Traditional Name: 7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid Formula: C18H13F3O3 MolecularWeight: 334.28923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C1C(=O)O)C=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1COC2=C(C=C1C(=O)O)C=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3O3/c19-18(20,21)15-4-1-11(2-5-15)12-3-6-16-14(9-12)10-13(17(22)23)7-8-24-16/h1-6,9-10H,7-8H2,(H,22,23)