[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC(=NC2=CC=CC=C21)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC(=NC2=CC=CC=C21)C

InChI

InChI=1S/C17H20N2O3/c1-4-9-18-16(20)12(3)22-17(21)14-10-11(2)19-15-8-6-5-7-13(14)15/h5-8,10,12H,4,9H2,1-3H3,(H,18,20)/t12-/m0/s1