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

Systemtic Name: bis(phenylmethyl) 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate Openeye Name: dibenzyl 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate CAS Name: 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate Traditional Name: 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylic acid dibenzyl ester Formula: C28H23ClN2O4 MolecularWeight: 486.94622

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H23ClN2O4/c29-22-13-11-21(12-14-22)25-23(16-30-31-25)24-15-28(24,26(32)34-17-19-7-3-1-4-8-19)27(33)35-18-20-9-5-2-6-10-20/h1-14,16,24H,15,17-18H2,(H,30,31)