[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C25H25ClN2O3 MolecularWeight: 436.9306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C25H25ClN2O3/c1-16-11-17(2)14-28(13-16)24(29)15-31-25(30)20-12-23(19-8-3-5-9-21(19)26)27-22-10-6-4-7-18(20)22/h3-10,12,16-17H,11,13-15H2,1-2H3