(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C25H26N4O3/c1-16(2)23(27-24(30)19-10-8-9-17(3)13-19)25(31)32-15-22-21(14-26)18(4)28-29(22)20-11-6-5-7-12-20/h5-13,16,23H,15H2,1-4H3,(H,27,30)