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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O3/c1-3-23-20(25)13(2)27-21(26)17-12-19(14-8-10-15(22)11-9-14)24-18-7-5-4-6-16(17)18/h4-13H,3H2,1-2H3,(H,23,25)/t13-/m0/s1