tert-butyl 2-ethyl-6-[4-(3-oxidanylidenebutanoyloxymethyl)phenyl]heptanoate

Systemtic Name: tert-butyl 2-ethyl-6-[4-(3-oxidanylidenebutanoyloxymethyl)phenyl]heptanoate Openeye Name: tert-butyl 2-ethyl-6-[4-(3-oxobutanoyloxymethyl)phenyl]heptanoate CAS Name: 6-[4-(1,3-dioxobutoxymethyl)phenyl]-2-ethylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-ethyl-6-[4-(3-oxobutanoyloxymethyl)phenyl]heptanoate Traditional Name: 6-[4-(acetoacetyloxymethyl)phenyl]-2-ethyl-enanthic acid tert-butyl ester Formula: C24H36O5 MolecularWeight: 404.53964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(C)C1=CC=C(C=C1)COC(=O)CC(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CCCC(C)C1=CC=C(C=C1)COC(=O)CC(=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H36O5/c1-7-20(23(27)29-24(4,5)6)10-8-9-17(2)21-13-11-19(12-14-21)16-28-22(26)15-18(3)25/h11-14,17,20H,7-10,15-16H2,1-6H3