bis[(4-pyrazol-1-ylphenyl)methyl] pyridine-2,6-dicarboxylate

Systemtic Name: bis[(4-pyrazol-1-ylphenyl)methyl] pyridine-2,6-dicarboxylate Openeye Name: bis[(4-pyrazol-1-ylphenyl)methyl] pyridine-2,6-dicarboxylate CAS Name: pyridine-2,6-dicarboxylic acid bis[[4-(1-pyrazolyl)phenyl]methyl] ester IUPAC Name: bis[(4-pyrazol-1-ylphenyl)methyl] pyridine-2,6-dicarboxylate Traditional Name: pyridine-2,6-dicarboxylic acid bis(4-pyrazol-1-ylbenzyl) ester Formula: C27H21N5O4 MolecularWeight: 479.48674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1=CC(=NC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C27H21N5O4/c33-26(35-18-20-6-10-22(11-7-20)31-16-2-14-28-31)24-4-1-5-25(30-24)27(34)36-19-21-8-12-23(13-9-21)32-17-3-15-29-32/h1-17H,18-19H2