2-[[2,2-dimethyl-3-oxidanyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2,2-dimethyl-3-oxidanyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[3-hydroxy-2,2-dimethyl-8-(trifluoromethyl)chroman-4-yl]anilino)acetic acid CAS Name: 2-(N-[3-hydroxy-2,2-dimethyl-8-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]anilino)acetic acid IUPAC Name: 2-(N-[3-hydroxy-2,2-dimethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-yl]anilino)acetic acid Traditional Name: 2-(N-[3-hydroxy-2,2-dimethyl-8-(trifluoromethyl)chroman-4-yl]anilino)acetic acid Formula: C20H20F3NO4 MolecularWeight: 395.37231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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