2-[4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]-3-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]-3-(trifluoromethyl)benzoic acid Openeye Name: 2-(3-benzyl-4-hydroxy-chroman-7-yl)-3-(trifluoromethyl)benzoic acid CAS Name: 2-[4-hydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]-3-(trifluoromethyl)benzoic acid IUPAC Name: 2-(3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl)-3-(trifluoromethyl)benzoic acid Traditional Name: 2-(3-benzyl-4-hydroxy-chroman-7-yl)-3-(trifluoromethyl)benzoic acid Formula: C24H19F3O4 MolecularWeight: 428.40047

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=C(C=C2)C3=C(C=CC=C3C(F)(F)F)C(=O)O)O)CC4=CC=CC=C4

Isomeric SMILES

C1C(C(C2=C(O1)C=C(C=C2)C3=C(C=CC=C3C(F)(F)F)C(=O)O)O)CC4=CC=CC=C4

InChI

InChI=1S/C24H19F3O4/c25-24(26,27)19-8-4-7-18(23(29)30)21(19)15-9-10-17-20(12-15)31-13-16(22(17)28)11-14-5-2-1-3-6-14/h1-10,12,16,22,28H,11,13H2,(H,29,30)