[2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-(2,4-diisopropylphenyl)-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-(2,4-diisopropylphenyl)-2-keto-ethyl] ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)Cl)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)Cl)C(C)C

InChI

InChI=1S/C20H22ClNO3/c1-12(2)14-7-8-15(17(10-14)13(3)4)18(23)11-25-20(24)16-6-5-9-22-19(16)21/h5-10,12-13H,11H2,1-4H3