methyl 2-[(4-tert-butylphenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[(4-tert-butylphenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[(4-tert-butylphenyl)methyl]-3-oxo-butanoate CAS Name: 2-[(4-tert-butylphenyl)methyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylphenyl)methyl]-3-oxobutanoate Traditional Name: 2-(4-tert-butylbenzyl)-3-keto-butyric acid methyl ester Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3/c1-11(17)14(15(18)19-5)10-12-6-8-13(9-7-12)16(2,3)4/h6-9,14H,10H2,1-5H3