[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-propylquinoline-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-propylquinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 2-propylquinoline-4-carboxylate CAS Name: 2-propyl-4-quinolinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 2-propylquinoline-4-carboxylate Traditional Name: 2-propylcinchoninic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C21H18ClNO3 MolecularWeight: 367.82552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO3/c1-2-5-16-12-18(17-6-3-4-7-19(17)23-16)21(25)26-13-20(24)14-8-10-15(22)11-9-14/h3-4,6-12H,2,5,13H2,1H3