bis(phenylmethyl) 2-[(1R)-1-(4-methoxyphenyl)-3-oxidanylidene-propyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(1R)-1-(4-methoxyphenyl)-3-oxidanylidene-propyl]propanedioate Openeye Name: dibenzyl 2-[(1R)-1-(4-methoxyphenyl)-3-oxo-propyl]propanedioate CAS Name: 2-[(1R)-1-(4-methoxyphenyl)-3-oxopropyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(1R)-1-(4-methoxyphenyl)-3-oxopropyl]propanedioate Traditional Name: 2-[(1R)-3-keto-1-(4-methoxyphenyl)propyl]malonic acid dibenzyl ester Formula: C27H26O6 MolecularWeight: 446.49174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC=O)C(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC=O)C(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H26O6/c1-31-23-14-12-22(13-15-23)24(16-17-28)25(26(29)32-18-20-8-4-2-5-9-20)27(30)33-19-21-10-6-3-7-11-21/h2-15,17,24-25H,16,18-19H2,1H3/t24-/m0/s1