[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1R)-2-indan-5-yl-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1R)-2-indan-5-yl-2-keto-1-methyl-ethyl] ester Formula: C22H19NO3 MolecularWeight: 345.39116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19NO3/c1-14(21(24)18-10-9-15-6-4-7-17(15)13-18)26-22(25)20-12-11-16-5-2-3-8-19(16)23-20/h2-3,5,8-14H,4,6-7H2,1H3/t14-/m1/s1