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

Systemtic Name: diethyl 2-[2-(1-phenylpyrazol-4-yl)ethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propanedioate CAS Name: 2-[[1-oxo-2-(1-phenyl-4-pyrazolyl)ethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propanedioate Traditional Name: 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]malonic acid diethyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O5/c1-3-25-17(23)16(18(24)26-4-2)20-15(22)10-13-11-19-21(12-13)14-8-6-5-7-9-14/h5-9,11-12,16H,3-4,10H2,1-2H3,(H,20,22)