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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(=O)CC2(CCCCCC2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=O)CC2(CCCCCC2)CC(=O)OC)C

InChI

InChI=1S/C21H30O3/c1-16-8-9-18(17(2)12-16)13-19(22)14-21(15-20(23)24-3)10-6-4-5-7-11-21/h8-9,12H,4-7,10-11,13-15H2,1-3H3