[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H20FNO4 MolecularWeight: 381.396903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)F)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)F)C

InChI

InChI=1S/C22H20FNO4/c1-14-4-5-15(2)24(14)18-9-6-16(7-10-18)22(26)28-13-20(25)17-8-11-21(27-3)19(23)12-17/h4-12H,13H2,1-3H3