[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-chloranylpyridine-2-carboxylate

Systemtic Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-chloranylpyridine-2-carboxylate Openeye Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-chloropyridine-2-carboxylate CAS Name: 4-chloro-2-pyridinecarboxylic acid [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-chloropyridine-2-carboxylate Traditional Name: 4-chloropicolinic acid [2-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=NC=CC(=C3)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=NC=CC(=C3)Cl)C

InChI

InChI=1S/C22H21ClN2O4/c1-4-28-18-7-5-17(6-8-18)25-14(2)11-19(15(25)3)21(26)13-29-22(27)20-12-16(23)9-10-24-20/h5-12H,4,13H2,1-3H3