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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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