bis(phenylmethyl) 2-[2-(4-methoxyphenyl)-3-methyl-4-oxidanylidene-4-phenyl-butyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[2-(4-methoxyphenyl)-3-methyl-4-oxidanylidene-4-phenyl-butyl]propanedioate Openeye Name: dibenzyl 2-[2-(4-methoxyphenyl)-3-methyl-4-oxo-4-phenyl-butyl]propanedioate CAS Name: 2-[2-(4-methoxyphenyl)-3-methyl-4-oxo-4-phenylbutyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[2-(4-methoxyphenyl)-3-methyl-4-oxo-4-phenylbutyl]propanedioate Traditional Name: 2-[4-keto-2-(4-methoxyphenyl)-3-methyl-4-phenyl-butyl]malonic acid dibenzyl ester Formula: C35H34O6 MolecularWeight: 550.64086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(CC(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C35H34O6/c1-25(33(36)29-16-10-5-11-17-29)31(28-18-20-30(39-2)21-19-28)22-32(34(37)40-23-26-12-6-3-7-13-26)35(38)41-24-27-14-8-4-9-15-27/h3-21,25,31-32H,22-24H2,1-2H3