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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O3/c1-14(2)16-8-11-18(12-9-16)23-21(25)15(3)27-22(26)20-13-10-17-6-4-5-7-19(17)24-20/h4-15H,1-3H3,(H,23,25)/t15-/m0/s1