3-methylbutyl 2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxyethanoate

Systemtic Name: 3-methylbutyl 2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxyethanoate Openeye Name: isopentyl 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]oxy]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate Traditional Name: 2-[3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl]oxyacetic acid isoamyl ester Formula: C25H25F3O7 MolecularWeight: 494.45701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)CCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H25F3O7/c1-14(2)9-10-33-21(29)13-34-16-6-7-17-19(12-16)35-24(25(26,27)28)22(23(17)30)15-5-8-18(31-3)20(11-15)32-4/h5-8,11-12,14H,9-10,13H2,1-4H3