4-ethoxy-4-oxidanylidene-3-(phenylmethyl)butanoic acid

Systemtic Name: 4-ethoxy-4-oxidanylidene-3-(phenylmethyl)butanoic acid Openeye Name: 3-benzyl-4-ethoxy-4-oxo-butanoic acid CAS Name: 4-ethoxy-4-oxo-3-(phenylmethyl)butanoic acid IUPAC Name: 3-benzyl-4-ethoxy-4-oxobutanoic acid Traditional Name: 3-benzyl-4-ethoxy-4-keto-butyric acid Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-2-17-13(16)11(9-12(14)15)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15)