methyl 3-[(2,6-dimethylphenyl)methyl]-4-oxidanylidene-pentanoate

Systemtic Name: methyl 3-[(2,6-dimethylphenyl)methyl]-4-oxidanylidene-pentanoate Openeye Name: methyl 3-[(2,6-dimethylphenyl)methyl]-4-oxo-pentanoate CAS Name: 3-[(2,6-dimethylphenyl)methyl]-4-oxopentanoic acid methyl ester IUPAC Name: methyl 3-[(2,6-dimethylphenyl)methyl]-4-oxopentanoate Traditional Name: 3-(2,6-dimethylbenzyl)-4-keto-valeric acid methyl ester Formula: C15H20O3 MolecularWeight: 248.3175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O3/c1-10-6-5-7-11(2)14(10)8-13(12(3)16)9-15(17)18-4/h5-7,13H,8-9H2,1-4H3