methyl 2-[(4-ethylphenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[(4-ethylphenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[(4-ethylphenyl)methyl]-3-oxo-butanoate CAS Name: 2-[(4-ethylphenyl)methyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[(4-ethylphenyl)methyl]-3-oxobutanoate Traditional Name: 2-(4-ethylbenzyl)-3-keto-butyric acid methyl ester Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(C(=O)C)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CC(C(=O)C)C(=O)OC

InChI

InChI=1S/C14H18O3/c1-4-11-5-7-12(8-6-11)9-13(10(2)15)14(16)17-3/h5-8,13H,4,9H2,1-3H3