2-ethyl-4-methoxy-4-oxidanylidene-3-(phenylmethyl)butanoic acid

Systemtic Name: 2-ethyl-4-methoxy-4-oxidanylidene-3-(phenylmethyl)butanoic acid Openeye Name: 3-benzyl-2-ethyl-4-methoxy-4-oxo-butanoic acid CAS Name: 2-ethyl-4-methoxy-4-oxo-3-(phenylmethyl)butanoic acid IUPAC Name: 3-benzyl-2-ethyl-4-methoxy-4-oxobutanoic acid Traditional Name: 3-benzyl-2-ethyl-4-keto-4-methoxy-butyric acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-3-11(13(15)16)12(14(17)18-2)9-10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3,(H,15,16)