[(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1R)-2-[4-(2,2-dimethylpropanoylamino)phenyl]-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2R)-1-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1R)-2-keto-1-methyl-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4/c1-15(30-22(28)20-14-11-16-7-5-6-8-19(16)26-20)21(27)17-9-12-18(13-10-17)25-23(29)24(2,3)4/h5-15H,1-4H3,(H,25,29)/t15-/m1/s1