2-[[2,2-dimethyl-3-oxidanyl-7-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2,2-dimethyl-3-oxidanyl-7-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[3-hydroxy-2,2-dimethyl-7-(trifluoromethyl)chroman-4-yl]anilino)acetic acid CAS Name: 2-(N-[3-hydroxy-2,2-dimethyl-7-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]anilino)acetic acid IUPAC Name: 2-(N-[3-hydroxy-2,2-dimethyl-7-(trifluoromethyl)-3,4-dihydrochromen-4-yl]anilino)acetic acid Traditional Name: 2-(N-[3-hydroxy-2,2-dimethyl-7-(trifluoromethyl)chroman-4-yl]anilino)acetic acid Formula: C20H20F3NO4 MolecularWeight: 395.37231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(C=C2)C(F)(F)F)N(CC(=O)O)C3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=C(C=C2)C(F)(F)F)N(CC(=O)O)C3=CC=CC=C3)O)C

InChI

InChI=1S/C20H20F3NO4/c1-19(2)18(27)17(24(11-16(25)26)13-6-4-3-5-7-13)14-9-8-12(20(21,22)23)10-15(14)28-19/h3-10,17-18,27H,11H2,1-2H3,(H,25,26)