1-[4-[1-butyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-4-yl]phenyl]pyrrolidine-2,5-dione hydrochloride

Systemtic Name: 1-[4-[1-butyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-4-yl]phenyl]pyrrolidine-2,5-dione hydrochloride Openeye Name: 1-[4-[1-butyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-4-piperidyl]phenyl]pyrrolidine-2,5-dione hydrochloride CAS Name: 1-[4-[1-butyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-4-piperidinyl]phenyl]pyrrolidine-2,5-dione hydrochloride IUPAC Name: 1-[4-[1-butyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-4-yl]phenyl]pyrrolidine-2,5-dione hydrochloride Traditional Name: 1-[4-[1-butyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-4-piperidyl]phenyl]pyrrolidine-2,5-quinone hydrochloride Formula: C27H32ClF3N2O3 MolecularWeight: 525.00279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)COC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)N4C(=O)CCC4=O.Cl

Isomeric SMILES

CCCCN1CCC(C(C1)COC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)N4C(=O)CCC4=O.Cl

InChI

InChI=1S/C27H31F3N2O3.ClH/c1-2-3-15-31-16-14-24(19-4-8-22(9-5-19)32-25(33)12-13-26(32)34)20(17-31)18-35-23-10-6-21(7-11-23)27(28,29)30;/h4-11,20,24H,2-3,12-18H2,1H3;1H