[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] quinoline-5-carboxylate

Systemtic Name: [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] quinoline-5-carboxylate Openeye Name: [(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] quinoline-5-carboxylate CAS Name: 5-quinolinecarboxylic acid [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] quinoline-5-carboxylate Traditional Name: quinoline-5-carboxylic acid [(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=C4C=CC=NC4=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C22H20N2O3/c1-15(21(25)24-14-6-8-16-7-2-3-12-20(16)24)27-22(26)18-9-4-11-19-17(18)10-5-13-23-19/h2-5,7,9-13,15H,6,8,14H2,1H3/t15-/m0/s1