methyl 4-[7-oxidanyl-4-oxidanylidene-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-3-yl]oxybenzoate

Systemtic Name: methyl 4-[7-oxidanyl-4-oxidanylidene-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: methyl 4-[7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-4-oxo-8-(1-pyrrolidinylmethyl)-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-(pyrrolidinomethyl)-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid methyl ester Formula: C23H20F3NO6 MolecularWeight: 463.40321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20F3NO6/c1-31-22(30)13-4-6-14(7-5-13)32-20-18(29)15-8-9-17(28)16(12-27-10-2-3-11-27)19(15)33-21(20)23(24,25)26/h4-9,28H,2-3,10-12H2,1H3