ethyl 4-[1-(2-fluoranyl-4-pyrrolidin-1-yl-phenyl)-1-oxidanylidene-propan-2-yl]benzoate

Systemtic Name: ethyl 4-[1-(2-fluoranyl-4-pyrrolidin-1-yl-phenyl)-1-oxidanylidene-propan-2-yl]benzoate Openeye Name: ethyl 4-[2-(2-fluoro-4-pyrrolidin-1-yl-phenyl)-1-methyl-2-oxo-ethyl]benzoate CAS Name: 4-[1-[2-fluoro-4-(1-pyrrolidinyl)phenyl]-1-oxopropan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-oxopropan-2-yl]benzoate Traditional Name: 4-[2-(2-fluoro-4-pyrrolidino-phenyl)-2-keto-1-methyl-ethyl]benzoic acid ethyl ester Formula: C22H24FNO3 MolecularWeight: 369.429263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FNO3/c1-3-27-22(26)17-8-6-16(7-9-17)15(2)21(25)19-11-10-18(14-20(19)23)24-12-4-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3