diethyl 2-methyl-2-[4-(4-phenylpyrazol-1-yl)butyl]propanedioate

Systemtic Name: diethyl 2-methyl-2-[4-(4-phenylpyrazol-1-yl)butyl]propanedioate Openeye Name: diethyl 2-methyl-2-[4-(4-phenylpyrazol-1-yl)butyl]propanedioate CAS Name: 2-methyl-2-[4-(4-phenyl-1-pyrazolyl)butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-methyl-2-[4-(4-phenylpyrazol-1-yl)butyl]propanedioate Traditional Name: 2-methyl-2-[4-(4-phenylpyrazol-1-yl)butyl]malonic acid diethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCCCN1C=C(C=N1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(CCCCN1C=C(C=N1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H28N2O4/c1-4-26-19(24)21(3,20(25)27-5-2)13-9-10-14-23-16-18(15-22-23)17-11-7-6-8-12-17/h6-8,11-12,15-16H,4-5,9-10,13-14H2,1-3H3