benzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol

Systemtic Name: benzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol Openeye Name: benzoic acid; 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol CAS Name: benzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol IUPAC Name: benzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol Traditional Name: benzoic acid; 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol Formula: C19H22F3NO3 MolecularWeight: 369.37809

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)C(F)(F)F)NCCO.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(CC1=CC(=CC=C1)C(F)(F)F)NCCO.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H16F3NO.C7H6O2/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15;8-7(9)6-4-2-1-3-5-6/h2-4,8-9,16-17H,5-7H2,1H3;1-5H,(H,8,9)