[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3,6-bis(chloranyl)pyridine-2-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3,6-bis(chloranyl)pyridine-2-carboxylate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 3,6-dichloropyridine-2-carboxylate CAS Name: 3,6-dichloro-2-pyridinecarboxylic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate Traditional Name: 3,6-dichloropicolinic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H20Cl2N2O3 MolecularWeight: 431.3118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O3/c1-14-12-17(15(2)26(14)11-10-16-6-4-3-5-7-16)19(27)13-29-22(28)21-18(23)8-9-20(24)25-21/h3-9,12H,10-11,13H2,1-2H3