(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)CC(C2=CC=C(C=C2)OC)NC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CC(C2=CC=C(C=C2)OC)NC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C24H24N4O4/c1-16-21(14-25)23(28(27-16)19-7-5-4-6-8-19)15-32-24(30)13-22(26-17(2)29)18-9-11-20(31-3)12-10-18/h4-12,22H,13,15H2,1-3H3,(H,26,29)