3-methylbutyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxidanylidene-2-phenyl-propanoate

Systemtic Name: 3-methylbutyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxidanylidene-2-phenyl-propanoate Openeye Name: isopentyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenyl-propanoate CAS Name: 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenylpropanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenylpropanoate Traditional Name: 3-[2,6-bis(trifluoromethyl)phenyl]-3-keto-2-phenyl-propionic acid isoamyl ester Formula: C22H20F6O3 MolecularWeight: 446.382819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(C1=CC=CC=C1)C(=O)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)CCOC(=O)C(C1=CC=CC=C1)C(=O)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H20F6O3/c1-13(2)11-12-31-20(30)17(14-7-4-3-5-8-14)19(29)18-15(21(23,24)25)9-6-10-16(18)22(26,27)28/h3-10,13,17H,11-12H2,1-2H3