bis(phenylmethyl) 2-(5-phenyl-1H-pyrazol-4-yl)cyclopropane-1,1-dicarboxylate

Systemtic Name: bis(phenylmethyl) 2-(5-phenyl-1H-pyrazol-4-yl)cyclopropane-1,1-dicarboxylate Openeye Name: dibenzyl 2-(5-phenyl-1H-pyrazol-4-yl)cyclopropane-1,1-dicarboxylate CAS Name: 2-(5-phenyl-1H-pyrazol-4-yl)cyclopropane-1,1-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-(5-phenyl-1H-pyrazol-4-yl)cyclopropane-1,1-dicarboxylate Traditional Name: 2-(5-phenyl-1H-pyrazol-4-yl)cyclopropane-1,1-dicarboxylic acid dibenzyl ester Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=C(NN=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(C1(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=C(NN=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24N2O4/c31-26(33-18-20-10-4-1-5-11-20)28(27(32)34-19-21-12-6-2-7-13-21)16-24(28)23-17-29-30-25(23)22-14-8-3-9-15-22/h1-15,17,24H,16,18-19H2,(H,29,30)