[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 3-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 3-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H19FN2O3/c1-14-6-7-15(2)24(14)19-5-3-4-16(12-19)21(26)27-13-20(25)23-18-10-8-17(22)9-11-18/h3-12H,13H2,1-2H3,(H,23,25)