[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(3,4-dichlorophenyl)-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-(3,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-(3,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C23H21Cl2NO3 MolecularWeight: 430.32374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H21Cl2NO3/c1-3-7-19-15(4-2)22(16-8-5-6-9-20(16)26-19)23(28)29-13-21(27)14-10-11-17(24)18(25)12-14/h5-6,8-12H,3-4,7,13H2,1-2H3