[2-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-keto-ethyl] ester Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)COC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)COC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C22H23ClN2O4/c1-5-28-15-8-9-18-17(11-15)14(2)12-22(3,4)25(18)19(26)13-29-21(27)16-7-6-10-24-20(16)23/h6-12H,5,13H2,1-4H3