[(E)-4-ethoxy-4-oxidanylidene-3-(phenylmethyl)but-2-en-2-yl] 4-methylbenzoate

Systemtic Name: [(E)-4-ethoxy-4-oxidanylidene-3-(phenylmethyl)but-2-en-2-yl] 4-methylbenzoate Openeye Name: [(E)-2-benzyl-3-ethoxy-1-methyl-3-oxo-prop-1-enyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(E)-4-ethoxy-4-oxo-3-(phenylmethyl)but-2-en-2-yl] ester IUPAC Name: [(E)-3-benzyl-4-ethoxy-4-oxobut-2-en-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(E)-2-benzyl-3-ethoxy-3-keto-1-methyl-prop-1-enyl] ester Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)OC(=O)C1=CC=C(C=C1)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C(\C)/OC(=O)C1=CC=C(C=C1)C)/CC2=CC=CC=C2

InChI

InChI=1S/C21H22O4/c1-4-24-21(23)19(14-17-8-6-5-7-9-17)16(3)25-20(22)18-12-10-15(2)11-13-18/h5-13H,4,14H2,1-3H3/b19-16+