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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O3/c1-3-14(2)24-21(26)13-28-22(27)18-12-20(15-8-10-16(23)11-9-15)25-19-7-5-4-6-17(18)19/h4-12,14H,3,13H2,1-2H3,(H,24,26)