methyl 2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-benzoate

Systemtic Name: methyl 2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-benzoate Openeye Name: methyl 2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-ethoxy-3-oxo-propyl)-4-methyl-benzoate CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-ethoxy-3-oxopropyl)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-ethoxy-3-oxopropyl)-4-methylbenzoate Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-ethoxy-3-keto-propyl)-4-methyl-benzoic acid methyl ester Formula: C22H20F6O4 MolecularWeight: 462.382219

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=C(C(=C1)C(=O)OC)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)CCC1=C(C=C(C(=C1)C(=O)OC)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C22H20F6O4/c1-4-32-19(29)6-5-13-10-18(20(30)31-3)17(7-12(13)2)14-8-15(21(23,24)25)11-16(9-14)22(26,27)28/h7-11H,4-6H2,1-3H3