4-[(E)-3-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(3-fluoro-4-pyrrolidin-1-yl-phenyl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(3-fluoro-4-pyrrolidino-phenyl)-3-keto-prop-1-enyl]benzoic acid Formula: C20H18FNO3 MolecularWeight: 339.360223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)O)F

InChI

InChI=1S/C20H18FNO3/c21-17-13-16(8-9-18(17)22-11-1-2-12-22)19(23)10-5-14-3-6-15(7-4-14)20(24)25/h3-10,13H,1-2,11-12H2,(H,24,25)/b10-5+