4-[4-oxidanylidene-6-[(1-phenylpyrazol-4-yl)methoxy]-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid

Systemtic Name: 4-[4-oxidanylidene-6-[(1-phenylpyrazol-4-yl)methoxy]-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid Openeye Name: 4-[4-oxo-6-[(1-phenylpyrazol-4-yl)methoxy]-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid CAS Name: 4-[[4-oxo-6-[(1-phenyl-4-pyrazolyl)methoxy]-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid IUPAC Name: 4-[4-oxo-6-[(1-phenylpyrazol-4-yl)methoxy]-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid Traditional Name: 4-[4-keto-6-[(1-phenylpyrazol-4-yl)methoxy]-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid Formula: C27H17F3N2O6 MolecularWeight: 522.42889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC3=CC4=C(C=C3)OC(=C(C4=O)OC5=CC=C(C=C5)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC3=CC4=C(C=C3)OC(=C(C4=O)OC5=CC=C(C=C5)C(=O)O)C(F)(F)F

InChI

InChI=1S/C27H17F3N2O6/c28-27(29,30)25-24(37-19-8-6-17(7-9-19)26(34)35)23(33)21-12-20(10-11-22(21)38-25)36-15-16-13-31-32(14-16)18-4-2-1-3-5-18/h1-14H,15H2,(H,34,35)