[[2,8-bis(trifluoromethyl)quinolin-4-yl]-(1-ethanoylpiperidin-2-yl)methyl] ethanoate

Systemtic Name: [[2,8-bis(trifluoromethyl)quinolin-4-yl]-(1-ethanoylpiperidin-2-yl)methyl] ethanoate Openeye Name: [(1-acetyl-2-piperidyl)-[2,8-bis(trifluoromethyl)-4-quinolyl]methyl] acetate CAS Name: acetic acid [(1-acetyl-2-piperidinyl)-[2,8-bis(trifluoromethyl)-4-quinolinyl]methyl] ester IUPAC Name: [(1-acetylpiperidin-2-yl)-[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl] acetate Traditional Name: acetic acid [(1-acetyl-2-piperidyl)-[2,8-bis(trifluoromethyl)-4-quinolyl]methyl] ester Formula: C21H20F6N2O3 MolecularWeight: 462.385519

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCCC1C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)OC(=O)C

Isomeric SMILES

CC(=O)N1CCCCC1C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)OC(=O)C

InChI

InChI=1S/C21H20F6N2O3/c1-11(30)29-9-4-3-8-16(29)19(32-12(2)31)14-10-17(21(25,26)27)28-18-13(14)6-5-7-15(18)20(22,23)24/h5-7,10,16,19H,3-4,8-9H2,1-2H3