dimethyl 2-[2-(phenylmethyl)buta-2,3-dienyl]propanedioate

Systemtic Name: dimethyl 2-[2-(phenylmethyl)buta-2,3-dienyl]propanedioate Openeye Name: dimethyl 2-(2-benzylbuta-2,3-dienyl)propanedioate CAS Name: 2-[2-(phenylmethyl)buta-2,3-dienyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-benzylbuta-2,3-dienyl)propanedioate Traditional Name: 2-(2-benzylbuta-2,3-dienyl)malonic acid dimethyl ester Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=C=C)CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(CC(=C=C)CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C16H18O4/c1-4-12(10-13-8-6-5-7-9-13)11-14(15(17)19-2)16(18)20-3/h5-9,14H,1,10-11H2,2-3H3