2-[3-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]-5-phenylmethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]-5-phenylmethoxy-phenyl]ethanoic acid Openeye Name: 2-[3-benzyloxy-5-[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]phenyl]acetic acid CAS Name: 2-[3-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]-5-phenylmethoxyphenyl]acetic acid IUPAC Name: 2-[3-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]-5-phenylmethoxyphenyl]acetic acid Traditional Name: 2-[3-benzoxy-5-[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]phenyl]acetic acid Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C1=CC(=CC(=C1)OCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CCOC(=O)/C=C(\C)/C1=CC(=CC(=C1)OCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C21H22O5/c1-3-25-21(24)9-15(2)18-10-17(12-20(22)23)11-19(13-18)26-14-16-7-5-4-6-8-16/h4-11,13H,3,12,14H2,1-2H3,(H,22,23)/b15-9+