(E)-6-[3-azanyl-5-(trifluoromethyl)phenyl]-2-methyl-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-6-[3-azanyl-5-(trifluoromethyl)phenyl]-2-methyl-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-6-[3-amino-5-(trifluoromethyl)phenyl]-2-methyl-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-6-[3-amino-5-(trifluoromethyl)phenyl]-2-methyl-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-6-[3-amino-5-(trifluoromethyl)phenyl]-2-methyl-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-6-[3-amino-5-(trifluoromethyl)phenyl]-2-methyl-6-(3-pyridyl)hex-5-enoic acid Formula: C19H19F3N2O2 MolecularWeight: 364.36157

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C1=CN=CC=C1)C2=CC(=CC(=C2)N)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(CC/C=C(/C1=CN=CC=C1)\C2=CC(=CC(=C2)N)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H19F3N2O2/c1-12(18(25)26)4-2-6-17(13-5-3-7-24-11-13)14-8-15(19(20,21)22)10-16(23)9-14/h3,5-12H,2,4,23H2,1H3,(H,25,26)/b17-6-