[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C

InChI

InChI=1S/C18H22N2O3/c1-5-12(3)20-17(21)10-23-18(22)15-9-13(4)19-16-7-6-11(2)8-14(15)16/h6-9,12H,5,10H2,1-4H3,(H,20,21)/t12-/m0/s1