[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H26N2O3/c1-4-7-17(3)25-23(27)15-29-24(28)20-14-22(18-12-10-16(2)11-13-18)26-21-9-6-5-8-19(20)21/h5-6,8-14,17H,4,7,15H2,1-3H3,(H,25,27)/t17-/m0/s1