methyl 2-[1-[3-(2,4-dimethylphenyl)-2-oxidanylidene-propyl]-4-methyl-cyclohexyl]ethanoate

Systemtic Name: methyl 2-[1-[3-(2,4-dimethylphenyl)-2-oxidanylidene-propyl]-4-methyl-cyclohexyl]ethanoate Openeye Name: methyl 2-[1-[3-(2,4-dimethylphenyl)-2-oxo-propyl]-4-methyl-cyclohexyl]acetate CAS Name: 2-[1-[3-(2,4-dimethylphenyl)-2-oxopropyl]-4-methylcyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[3-(2,4-dimethylphenyl)-2-oxopropyl]-4-methylcyclohexyl]acetate Traditional Name: 2-[1-[3-(2,4-dimethylphenyl)-2-keto-propyl]-4-methyl-cyclohexyl]acetic acid methyl ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(CC(=O)CC2=C(C=C(C=C2)C)C)CC(=O)OC

Isomeric SMILES

CC1CCC(CC1)(CC(=O)CC2=C(C=C(C=C2)C)C)CC(=O)OC

InChI

InChI=1S/C21H30O3/c1-15-7-9-21(10-8-15,14-20(23)24-4)13-19(22)12-18-6-5-16(2)11-17(18)3/h5-6,11,15H,7-10,12-14H2,1-4H3