tert-butyl 4-[5-(furan-2-yl)-4,4-dimethyl-3-oxidanylidene-cyclohexen-1-yl]-4-methyl-pentanoate

Systemtic Name: tert-butyl 4-[5-(furan-2-yl)-4,4-dimethyl-3-oxidanylidene-cyclohexen-1-yl]-4-methyl-pentanoate Openeye Name: tert-butyl 4-[5-(2-furyl)-4,4-dimethyl-3-oxo-cyclohexen-1-yl]-4-methyl-pentanoate CAS Name: 4-[5-(2-furanyl)-4,4-dimethyl-3-oxo-1-cyclohexenyl]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(furan-2-yl)-4,4-dimethyl-3-oxocyclohexen-1-yl]-4-methylpentanoate Traditional Name: 4-[5-(2-furyl)-3-keto-4,4-dimethyl-cyclohexen-1-yl]-4-methyl-valeric acid tert-butyl ester Formula: C22H32O4 MolecularWeight: 360.48708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(=CC1=O)C(C)(C)CCC(=O)OC(C)(C)C)C2=CC=CO2)C

Isomeric SMILES

CC1(C(CC(=CC1=O)C(C)(C)CCC(=O)OC(C)(C)C)C2=CC=CO2)C

InChI

InChI=1S/C22H32O4/c1-20(2,3)26-19(24)10-11-21(4,5)15-13-16(17-9-8-12-25-17)22(6,7)18(23)14-15/h8-9,12,14,16H,10-11,13H2,1-7H3