[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] quinoline-5-carboxylate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] quinoline-5-carboxylate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] quinoline-5-carboxylate CAS Name: 5-quinolinecarboxylic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] quinoline-5-carboxylate Traditional Name: quinoline-5-carboxylic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C3C=CC=NC3=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C3C=CC=NC3=CC=C2

InChI

InChI=1S/C21H19NO3/c1-3-15-9-11-16(12-10-15)20(23)14(2)25-21(24)18-6-4-8-19-17(18)7-5-13-22-19/h4-14H,3H2,1-2H3