tert-butyl 3-(4-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)pyrazole-1-carboxylate

Systemtic Name: tert-butyl 3-(4-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)pyrazole-1-carboxylate Openeye Name: tert-butyl 3-(4-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)pyrazole-1-carboxylate CAS Name: 3-(4-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)pyrazole-1-carboxylate Traditional Name: 3-(4-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)pyrazole-1-carboxylic acid tert-butyl ester Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(=N1)C2=CC=C(C=C2)Cl)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC(=N1)C2=CC=C(C=C2)Cl)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H25ClN2O5/c1-23(2,3)31-22(27)26-18(13-17(25-26)14-7-9-16(24)10-8-14)15-11-19(28-4)21(30-6)20(12-15)29-5/h7-13H,1-6H3