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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(CC(=O)CC2=C(C=C(C=C2)C)C)CC(=O)OC

Isomeric SMILES

CC1CCCC(C1)(CC(=O)CC2=C(C=C(C=C2)C)C)CC(=O)OC

InChI

InChI=1S/C21H30O3/c1-15-7-8-18(17(3)10-15)11-19(22)13-21(14-20(23)24-4)9-5-6-16(2)12-21/h7-8,10,16H,5-6,9,11-14H2,1-4H3