3-(3-methylphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(3-methylphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(3-methylphenoxy)-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(3-methylphenoxy)-8-(1-pyrrolidinylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(3-methylphenoxy)-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(3-methylphenoxy)-8-(pyrrolidinomethyl)-2-(trifluoromethyl)chromone Formula: C22H20F3NO4 MolecularWeight: 419.39371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCC4)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCC4)O)C(F)(F)F

InChI

InChI=1S/C22H20F3NO4/c1-13-5-4-6-14(11-13)29-20-18(28)15-7-8-17(27)16(12-26-9-2-3-10-26)19(15)30-21(20)22(23,24)25/h4-8,11,27H,2-3,9-10,12H2,1H3