[2-(butylamino)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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