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

Systemtic Name: 2-phenylprop-2-enoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol Openeye Name: 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol; 2-phenylprop-2-enoic acid CAS Name: 2-phenyl-2-propenoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol IUPAC Name: 2-phenylprop-2-enoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol Traditional Name: atropic acid; 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol Formula: C21H24F3NO3 MolecularWeight: 395.41537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16F3NO.C9H8O2/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15;1-7(9(10)11)8-5-3-2-4-6-8/h2-4,8-9,16-17H,5-7H2,1H3;2-6H,1H2,(H,10,11)