4-[(Z)-2-ethoxycarbonyl-5-(4-fluorophenyl)-3-oxidanylidene-pent-1-enyl]benzoic acid

Systemtic Name: 4-[(Z)-2-ethoxycarbonyl-5-(4-fluorophenyl)-3-oxidanylidene-pent-1-enyl]benzoic acid Openeye Name: 4-[(Z)-2-ethoxycarbonyl-5-(4-fluorophenyl)-3-oxo-pent-1-enyl]benzoic acid CAS Name: 4-[(Z)-2-ethoxycarbonyl-5-(4-fluorophenyl)-3-oxopent-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-2-ethoxycarbonyl-5-(4-fluorophenyl)-3-oxopent-1-enyl]benzoic acid Traditional Name: 4-[(Z)-2-carbethoxy-5-(4-fluorophenyl)-3-keto-pent-1-enyl]benzoic acid Formula: C21H19FO5 MolecularWeight: 370.370963

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H19FO5/c1-2-27-21(26)18(13-15-3-8-16(9-4-15)20(24)25)19(23)12-7-14-5-10-17(22)11-6-14/h3-6,8-11,13H,2,7,12H2,1H3,(H,24,25)/b18-13-