(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(p-toluoylamino)butyric acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C24H26ClN3O3/c1-15(2)21(26-23(29)18-12-10-16(3)11-13-18)24(30)31-14-20-17(4)27-28(22(20)25)19-8-6-5-7-9-19/h5-13,15,21H,14H2,1-4H3,(H,26,29)/t21-/m0/s1