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

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3/c1-17-8-10-20(11-9-17)24-13-22(21-6-4-5-7-23(21)27-24)26(30)31-16-25(29)28-14-18(2)12-19(3)15-28/h4-11,13,18-19H,12,14-16H2,1-3H3