(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(2-phenoxyethanoylamino)ethanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(2-phenoxyethanoylamino)ethanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate CAS Name: 2-[(1-oxo-2-phenoxyethyl)amino]acetic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate Traditional Name: 2-[(2-phenoxyacetyl)amino]acetic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)CNC(=O)COC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CNC(=O)COC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H20N4O4/c1-16-19(12-23)20(26(25-16)17-8-4-2-5-9-17)14-30-22(28)13-24-21(27)15-29-18-10-6-3-7-11-18/h2-11H,13-15H2,1H3,(H,24,27)