[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O3/c1-3-17(4-2)25-22(27)14-29-23(28)19-13-21(15-9-11-16(24)12-10-15)26-20-8-6-5-7-18(19)20/h5-13,17H,3-4,14H2,1-2H3,(H,25,27)