(phenylmethyl) 5-[(E)-3-ethoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2-methoxy-benzoate

Systemtic Name: (phenylmethyl) 5-[(E)-3-ethoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2-methoxy-benzoate Openeye Name: benzyl 5-[(E)-3-ethoxy-2-methyl-3-oxo-prop-1-enyl]-2-methoxy-benzoate CAS Name: 5-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]-2-methoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]-2-methoxybenzoate Traditional Name: 5-[(E)-3-ethoxy-3-keto-2-methyl-prop-1-enyl]-2-methoxy-benzoic acid benzyl ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)OC)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22O5/c1-4-25-20(22)15(2)12-17-10-11-19(24-3)18(13-17)21(23)26-14-16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3/b15-12+