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

Systemtic Name: 2-[2,2-dimethyl-3-oxidanyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-2-phenylazanyl-ethanoic acid Openeye Name: 2-anilino-2-[3-hydroxy-2,2-dimethyl-8-(trifluoromethyl)chroman-4-yl]acetic acid CAS Name: 2-anilino-2-[3-hydroxy-2,2-dimethyl-8-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]acetic acid IUPAC Name: 2-anilino-2-[3-hydroxy-2,2-dimethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-yl]acetic acid Traditional Name: 2-anilino-2-[3-hydroxy-2,2-dimethyl-8-(trifluoromethyl)chroman-4-yl]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)C(C(=O)O)NC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C(=CC=C2)C(F)(F)F)C(C(=O)O)NC3=CC=CC=C3)O)C

InChI

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