(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H27FO3 MolecularWeight: 370.457083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CCC(=O)C2=CC=C(C=C2)F)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CCC(=O)C2=CC=C(C=C2)F)C)C(C)(C)C

InChI

InChI=1S/C23H27FO3/c1-15-12-18(23(3,4)5)13-16(2)20(15)14-27-22(26)11-10-21(25)17-6-8-19(24)9-7-17/h6-9,12-13H,10-11,14H2,1-5H3