O3-tert-butyl O4-ethyl 1-(4-ethoxycarbonylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate

Systemtic Name: O3-tert-butyl O4-ethyl 1-(4-ethoxycarbonylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: O3-tert-butyl O4-ethyl 1-(4-ethoxycarbonylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid O3-tert-butyl ester O4-ethyl ester IUPAC Name: 3-O-tert-butyl 4-O-ethyl 1-(4-ethoxycarbonylphenyl)-5-phenylpyrazole-3,4-dicarboxylate Traditional Name: 1-(4-carbethoxyphenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid O3-tert-butyl ester O4-ethyl ester Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)OC(C)(C)C)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)OC(C)(C)C)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C26H28N2O6/c1-6-32-23(29)18-13-15-19(16-14-18)28-22(17-11-9-8-10-12-17)20(24(30)33-7-2)21(27-28)25(31)34-26(3,4)5/h8-16H,6-7H2,1-5H3