[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxylate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxylate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate Traditional Name: 2-keto-3,4-dihydro-1H-quinoline-6-carboxylic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C21H21NO4/c1-3-14-4-6-15(7-5-14)20(24)13(2)26-21(25)17-8-10-18-16(12-17)9-11-19(23)22-18/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,22,23)/t13-/m0/s1