[2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] pyridine-2-carboxylate

Systemtic Name: [2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] pyridine-2-carboxylate Openeye Name: [2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] pyridine-2-carboxylate Traditional Name: picolinic acid [2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-14-9-15(2)11-18(10-14)24-16(3)12-19(17(24)4)21(25)13-27-22(26)20-7-5-6-8-23-20/h5-12H,13H2,1-4H3