2-acetyloxybenzoic acid; 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol

Systemtic Name: 2-acetyloxybenzoic acid; 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol Openeye Name: 2-acetoxybenzoic acid; 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol CAS Name: 2-acetyloxybenzoic acid; 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanol IUPAC Name: 2-acetyloxybenzoic acid; 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol Traditional Name: 2-acetoxybenzoic acid; 2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethanol Formula: C22H25F3N2O5 MolecularWeight: 454.43951

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O.C1CN(CCN1CCO)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.C1CN(CCN1CCO)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H17F3N2O.C9H8O4/c14-13(15,16)11-2-1-3-12(10-11)18-6-4-17(5-7-18)8-9-19;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h1-3,10,19H,4-9H2;2-5H,1H3,(H,11,12)