bis[(3-cyanophenyl)methyl] 5-(hydroxymethyl)benzene-1,3-dicarboxylate

Systemtic Name: bis[(3-cyanophenyl)methyl] 5-(hydroxymethyl)benzene-1,3-dicarboxylate Openeye Name: bis[(3-cyanophenyl)methyl] 5-(hydroxymethyl)benzene-1,3-dicarboxylate CAS Name: 5-(hydroxymethyl)benzene-1,3-dicarboxylic acid bis[(3-cyanophenyl)methyl] ester IUPAC Name: bis[(3-cyanophenyl)methyl] 5-(hydroxymethyl)benzene-1,3-dicarboxylate Traditional Name: 5-methylolbenzene-1,3-dicarboxylic acid bis(3-cyanobenzyl) ester Formula: C25H18N2O5 MolecularWeight: 426.42082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)C2=CC(=CC(=C2)CO)C(=O)OCC3=CC=CC(=C3)C#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)C2=CC(=CC(=C2)CO)C(=O)OCC3=CC=CC(=C3)C#N)C#N

InChI

InChI=1S/C25H18N2O5/c26-12-17-3-1-5-19(7-17)15-31-24(29)22-9-21(14-28)10-23(11-22)25(30)32-16-20-6-2-4-18(8-20)13-27/h1-11,28H,14-16H2