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

Systemtic Name: [2-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-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] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-keto-ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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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=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-5-27-17-6-7-19-18(12-17)15(2)13-22(3,4)24(19)20(25)14-28-21(26)16-8-10-23-11-9-16/h6-13H,5,14H2,1-4H3