bis(phenylmethyl) 2-[5-(4-methylphenyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate

Systemtic Name: bis(phenylmethyl) 2-[5-(4-methylphenyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate Openeye Name: dibenzyl 2-[5-(p-tolyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate CAS Name: 2-[5-(4-methylphenyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[5-(4-methylphenyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate Traditional Name: 2-[5-(p-tolyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylic acid dibenzyl ester Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C3CC3(C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C3CC3(C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H26N2O4/c1-20-12-14-23(15-13-20)26-24(17-30-31-26)25-16-29(25,27(32)34-18-21-8-4-2-5-9-21)28(33)35-19-22-10-6-3-7-11-22/h2-15,17,25H,16,18-19H2,1H3,(H,30,31)