4-[(E)-2-ethoxycarbonyl-3-oxidanylidene-5-[4-(trifluoromethyl)phenyl]pent-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-ethoxycarbonyl-3-oxidanylidene-5-[4-(trifluoromethyl)phenyl]pent-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-ethoxycarbonyl-3-oxo-5-[4-(trifluoromethyl)phenyl]pent-1-enyl]benzoic acid CAS Name: 4-[(E)-2-ethoxycarbonyl-3-oxo-5-[4-(trifluoromethyl)phenyl]pent-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-ethoxycarbonyl-3-oxo-5-[4-(trifluoromethyl)phenyl]pent-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-carbethoxy-3-keto-5-[4-(trifluoromethyl)phenyl]pent-1-enyl]benzoic acid Formula: C22H19F3O5 MolecularWeight: 420.37847

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)CCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(C=C1)C(=O)O)/C(=O)CCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C22H19F3O5/c1-2-30-21(29)18(13-15-3-8-16(9-4-15)20(27)28)19(26)12-7-14-5-10-17(11-6-14)22(23,24)25/h3-6,8-11,13H,2,7,12H2,1H3,(H,27,28)/b18-13+