[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1R)-2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C(C)OC(=O)C2=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)OC(=O)C2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C20H24N2O3/c1-13-7-6-8-14(2)22(13)19(23)15(3)25-20(24)18-12-11-16-9-4-5-10-17(16)21-18/h4-5,9-15H,6-8H2,1-3H3/t13-,14-,15-/m1/s1