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

Systemtic Name: 4-methylbenzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol Openeye Name: 4-methylbenzoic acid; 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol CAS Name: 4-methylbenzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol IUPAC Name: 4-methylbenzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol Traditional Name: 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol; p-toluic acid Formula: C20H24F3NO3 MolecularWeight: 383.40467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16F3NO.C8H8O2/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15;1-6-2-4-7(5-3-6)8(9)10/h2-4,8-9,16-17H,5-7H2,1H3;2-5H,1H3,(H,9,10)