4-[1-(2-fluoranyl-4-pyrrolidin-1-yl-phenyl)-1-oxidanylidene-propan-2-yl]benzoic acid

Systemtic Name: 4-[1-(2-fluoranyl-4-pyrrolidin-1-yl-phenyl)-1-oxidanylidene-propan-2-yl]benzoic acid Openeye Name: 4-[2-(2-fluoro-4-pyrrolidin-1-yl-phenyl)-1-methyl-2-oxo-ethyl]benzoic acid CAS Name: 4-[1-[2-fluoro-4-(1-pyrrolidinyl)phenyl]-1-oxopropan-2-yl]benzoic acid IUPAC Name: 4-[1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-oxopropan-2-yl]benzoic acid Traditional Name: 4-[2-(2-fluoro-4-pyrrolidino-phenyl)-2-keto-1-methyl-ethyl]benzoic acid Formula: C20H20FNO3 MolecularWeight: 341.376103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)C(=O)C2=C(C=C(C=C2)N3CCCC3)F

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)O)C(=O)C2=C(C=C(C=C2)N3CCCC3)F

InChI

InChI=1S/C20H20FNO3/c1-13(14-4-6-15(7-5-14)20(24)25)19(23)17-9-8-16(12-18(17)21)22-10-2-3-11-22/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,25)