bis(phenylmethyl) 2-[[4-(hydroxymethyl)-3-methyl-phenyl]methyl]piperazine-1,4-dicarboxylate

Systemtic Name: bis(phenylmethyl) 2-[[4-(hydroxymethyl)-3-methyl-phenyl]methyl]piperazine-1,4-dicarboxylate Openeye Name: dibenzyl 2-[[4-(hydroxymethyl)-3-methyl-phenyl]methyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[4-(hydroxymethyl)-3-methylphenyl]methyl]piperazine-1,4-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[4-(hydroxymethyl)-3-methylphenyl]methyl]piperazine-1,4-dicarboxylate Traditional Name: 2-(3-methyl-4-methylol-benzyl)piperazine-1,4-dicarboxylic acid dibenzyl ester Formula: C29H32N2O5 MolecularWeight: 488.57478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2CN(CCN2C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)CO

Isomeric SMILES

CC1=C(C=CC(=C1)CC2CN(CCN2C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)CO

InChI

InChI=1S/C29H32N2O5/c1-22-16-25(12-13-26(22)19-32)17-27-18-30(28(33)35-20-23-8-4-2-5-9-23)14-15-31(27)29(34)36-21-24-10-6-3-7-11-24/h2-13,16,27,32H,14-15,17-21H2,1H3