[2-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] pyridine-2-carboxylate

Systemtic Name: [2-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] pyridine-2-carboxylate Openeye Name: [2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [2-[1-(3-fluoro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] pyridine-2-carboxylate Traditional Name: picolinic acid [2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC=CC=N3)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC=CC=N3)C)F

InChI

InChI=1S/C21H19FN2O3/c1-13-7-8-16(11-18(13)22)24-14(2)10-17(15(24)3)20(25)12-27-21(26)19-6-4-5-9-23-19/h4-11H,12H2,1-3H3