5-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]-2-(1-phenylethoxy)benzoic acid

Systemtic Name: 5-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]-2-(1-phenylethoxy)benzoic acid Openeye Name: 5-[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]-2-(1-phenylethoxy)benzoic acid CAS Name: 5-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]-2-(1-phenylethoxy)benzoic acid IUPAC Name: 5-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]-2-(1-phenylethoxy)benzoic acid Traditional Name: 5-[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]-2-(1-phenylethoxy)benzoic acid Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O5/c1-4-25-20(22)12-14(2)17-10-11-19(18(13-17)21(23)24)26-15(3)16-8-6-5-7-9-16/h5-13,15H,4H2,1-3H3,(H,23,24)/b14-12+