[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] quinoline-2-carboxylate

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] quinoline-2-carboxylate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-3-24(4-2)21(25)20(17-11-6-5-7-12-17)27-22(26)19-15-14-16-10-8-9-13-18(16)23-19/h5-15,20H,3-4H2,1-2H3/t20-/m0/s1