6-[(3S,4R)-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)-2-(3-phenoxyphenyl)chromen-4-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 6-[(3S,4R)-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)-2-(3-phenoxyphenyl)chromen-4-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5,7-dihydroxy-6-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]-2-(3-phenoxyphenyl)chromen-4-one; 2,2,2-trifluoroacetic acid CAS Name: 5,7-dihydroxy-6-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-2-(3-phenoxyphenyl)-1-benzopyran-4-one; 2,2,2-trifluoroacetic acid IUPAC Name: 5,7-dihydroxy-6-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-2-(3-phenoxyphenyl)chromen-4-one; 2,2,2-trifluoroacetic acid Traditional Name: 5,7-dihydroxy-6-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]-2-(3-phenoxyphenyl)chromone; 2,2,2-trifluoroacetic acid Formula: C29H26F3NO8 MolecularWeight: 573.51385

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)O)C2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=CC=C4)OC5=CC=CC=C5)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=CC=C4)OC5=CC=CC=C5)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C27H25NO6.C2HF3O2/c1-28-11-10-19(22(31)15-28)25-20(29)14-24-26(27(25)32)21(30)13-23(34-24)16-6-5-9-18(12-16)33-17-7-3-2-4-8-17;3-2(4,5)1(6)7/h2-9,12-14,19,22,29,31-32H,10-11,15H2,1H3;(H,6,7)/t19-,22+;/m0./s1