diethyl 2-acetamido-2-[(4-methyl-2-phenylmethoxy-pyrazol-3-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(4-methyl-2-phenylmethoxy-pyrazol-3-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(2-benzyloxy-4-methyl-pyrazol-3-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(4-methyl-2-phenylmethoxy-3-pyrazolyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(4-methyl-2-phenylmethoxypyrazol-3-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(2-benzoxy-4-methyl-pyrazol-3-yl)methyl]malonic acid diethyl ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=NN1OCC2=CC=CC=C2)C)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=NN1OCC2=CC=CC=C2)C)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H27N3O6/c1-5-28-19(26)21(23-16(4)25,20(27)29-6-2)12-18-15(3)13-22-24(18)30-14-17-10-8-7-9-11-17/h7-11,13H,5-6,12,14H2,1-4H3,(H,23,25)