[2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-keto-2-[[(1R)-1-methylbutyl]amino]ethyl] ester Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

Isomeric SMILES

CCC[C@@H](C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H23ClN2O3/c1-3-8-15(2)25-22(27)14-29-23(28)18-13-21(17-10-4-6-11-19(17)24)26-20-12-7-5-9-16(18)20/h4-7,9-13,15H,3,8,14H2,1-2H3,(H,25,27)/t15-/m1/s1