[4-methoxy-5-methyl-2-[2-(3-methylbutanoyloxymethyl)oxiran-2-yl]phenyl] (E)-2-methylbut-2-enoate

Systemtic Name: [4-methoxy-5-methyl-2-[2-(3-methylbutanoyloxymethyl)oxiran-2-yl]phenyl] (E)-2-methylbut-2-enoate Openeye Name: [4-methoxy-5-methyl-2-[2-(3-methylbutanoyloxymethyl)oxiran-2-yl]phenyl] (E)-2-methylbut-2-enoate CAS Name: (E)-2-methyl-2-butenoic acid [4-methoxy-5-methyl-2-[2-[(3-methyl-1-oxobutoxy)methyl]-2-oxiranyl]phenyl] ester IUPAC Name: [4-methoxy-5-methyl-2-[2-(3-methylbutanoyloxymethyl)oxiran-2-yl]phenyl] (E)-2-methylbut-2-enoate Traditional Name: (E)-2-methylbut-2-enoic acid [2-[2-(isovaleryloxymethyl)oxiran-2-yl]-4-methoxy-5-methyl-phenyl] ester Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OC1=CC(=C(C=C1C2(CO2)COC(=O)CC(C)C)OC)C

Isomeric SMILES

C/C=C(\C)/C(=O)OC1=CC(=C(C=C1C2(CO2)COC(=O)CC(C)C)OC)C

InChI

InChI=1S/C21H28O6/c1-7-14(4)20(23)27-18-9-15(5)17(24-6)10-16(18)21(12-26-21)11-25-19(22)8-13(2)3/h7,9-10,13H,8,11-12H2,1-6H3/b14-7+