ethyl 1-butyl-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 1-butyl-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-butyl-4-oxo-7-(4-pyridyl)quinoline-3-carboxylate CAS Name: 1-butyl-4-oxo-7-pyridin-4-yl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate Traditional Name: 1-butyl-4-keto-7-(4-pyridyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)OCC

Isomeric SMILES

CCCCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)OCC

InChI

InChI=1S/C21H22N2O3/c1-3-5-12-23-14-18(21(25)26-4-2)20(24)17-7-6-16(13-19(17)23)15-8-10-22-11-9-15/h6-11,13-14H,3-5,12H2,1-2H3