O4-tert-butyl O3-methyl 1-(3-methylbutyl)-5-phenyl-pyrazole-3,4-dicarboxylate

Systemtic Name: O4-tert-butyl O3-methyl 1-(3-methylbutyl)-5-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: O4-tert-butyl O3-methyl 1-isopentyl-5-phenyl-pyrazole-3,4-dicarboxylate CAS Name: 1-(3-methylbutyl)-5-phenylpyrazole-3,4-dicarboxylic acid O4-tert-butyl ester O3-methyl ester IUPAC Name: 4-O-tert-butyl 3-O-methyl 1-(3-methylbutyl)-5-phenylpyrazole-3,4-dicarboxylate Traditional Name: 1-isoamyl-5-phenyl-pyrazole-3,4-dicarboxylic acid O4-tert-butyl ester O3-methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C(=N1)C(=O)OC)C(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C(=C(C(=N1)C(=O)OC)C(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4/c1-14(2)12-13-23-18(15-10-8-7-9-11-15)16(17(22-23)20(25)26-6)19(24)27-21(3,4)5/h7-11,14H,12-13H2,1-6H3