bis(phenylmethyl) 1-(phenylmethyl)-1,2,4-triazole-3,5-dicarboxylate

Systemtic Name: bis(phenylmethyl) 1-(phenylmethyl)-1,2,4-triazole-3,5-dicarboxylate Openeye Name: dibenzyl 1-benzyl-1,2,4-triazole-3,5-dicarboxylate CAS Name: 1-(phenylmethyl)-1,2,4-triazole-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 1-benzyl-1,2,4-triazole-3,5-dicarboxylate Traditional Name: 1-benzyl-1,2,4-triazole-3,5-dicarboxylic acid dibenzyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC(=N2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC(=N2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4/c29-24(31-17-20-12-6-2-7-13-20)22-26-23(25(30)32-18-21-14-8-3-9-15-21)28(27-22)16-19-10-4-1-5-11-19/h1-15H,16-18H2