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

Systemtic Name: 3-methylbut-2-enoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol Openeye Name: 3-methylbut-2-enoic acid; 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol CAS Name: 3-methyl-2-butenoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol IUPAC Name: 3-methylbut-2-enoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol Traditional Name: 3-methylbut-2-enoic acid; 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol Formula: C17H24F3NO3 MolecularWeight: 347.37257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16F3NO.C5H8O2/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15;1-4(2)3-5(6)7/h2-4,8-9,16-17H,5-7H2,1H3;3H,1-2H3,(H,6,7)