[4-(dimethylamino)-2-naphthalen-1-yl-butyl] 3-(trifluoromethyl)benzoate hydrochloride

Systemtic Name: [4-(dimethylamino)-2-naphthalen-1-yl-butyl] 3-(trifluoromethyl)benzoate hydrochloride Openeye Name: [4-(dimethylamino)-2-(1-naphthyl)butyl] 3-(trifluoromethyl)benzoate hydrochloride CAS Name: 3-(trifluoromethyl)benzoic acid [4-(dimethylamino)-2-(1-naphthalenyl)butyl] ester hydrochloride IUPAC Name: [4-(dimethylamino)-2-naphthalen-1-ylbutyl] 3-(trifluoromethyl)benzoate hydrochloride Traditional Name: 3-(trifluoromethyl)benzoic acid [4-(dimethylamino)-2-(1-naphthyl)butyl] ester hydrochloride Formula: C24H25ClF3NO2 MolecularWeight: 451.90901

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(COC(=O)C1=CC(=CC=C1)C(F)(F)F)C2=CC=CC3=CC=CC=C32.Cl

Isomeric SMILES

CN(C)CCC(COC(=O)C1=CC(=CC=C1)C(F)(F)F)C2=CC=CC3=CC=CC=C32.Cl

InChI

InChI=1S/C24H24F3NO2.ClH/c1-28(2)14-13-19(22-12-6-8-17-7-3-4-11-21(17)22)16-30-23(29)18-9-5-10-20(15-18)24(25,26)27;/h3-12,15,19H,13-14,16H2,1-2H3;1H