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

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1S)-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=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H19NO3/c1-3-15-8-10-17(11-9-15)20(23)14(2)25-21(24)19-13-12-16-6-4-5-7-18(16)22-19/h4-14H,3H2,1-2H3/t14-/m0/s1