8-(dimethylaminomethyl)-3-(4-methoxyphenoxy)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one; propanedioic acid

Systemtic Name: 8-(dimethylaminomethyl)-3-(4-methoxyphenoxy)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one; propanedioic acid Openeye Name: 8-(dimethylaminomethyl)-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)chromen-4-one; malonic acid CAS Name: 8-(dimethylaminomethyl)-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one; propanedioic acid IUPAC Name: 8-(dimethylaminomethyl)-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)chromen-4-one; propanedioic acid Traditional Name: 8-(dimethylaminomethyl)-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)chromone; malonic acid Formula: C23H22F3NO9 MolecularWeight: 513.41729

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)OC)C(F)(F)F)O.C(C(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)OC)C(F)(F)F)O.C(C(=O)O)C(=O)O

InChI

InChI=1S/C20H18F3NO5.C3H4O4/c1-24(2)10-14-15(25)9-8-13-16(26)18(19(20(21,22)23)29-17(13)14)28-12-6-4-11(27-3)5-7-12;4-2(5)1-3(6)7/h4-9,25H,10H2,1-3H3;1H2,(H,4,5)(H,6,7)