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

Systemtic Name: 2-methylpropyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxidanylidene-2-phenyl-propanoate Openeye Name: isobutyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenyl-propanoate CAS Name: 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenylpropanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenylpropanoate Traditional Name: 3-[2,6-bis(trifluoromethyl)phenyl]-3-keto-2-phenyl-propionic acid isobutyl ester Formula: C21H18F6O3 MolecularWeight: 432.356239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F6O3/c1-12(2)11-30-19(29)16(13-7-4-3-5-8-13)18(28)17-14(20(22,23)24)9-6-10-15(17)21(25,26)27/h3-10,12,16H,11H2,1-2H3