(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C23H22ClN3O3 MolecularWeight: 423.89208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O3/c1-16-13-19(10-11-21(16)24)29-12-6-9-23(28)30-15-22-20(14-25)17(2)26-27(22)18-7-4-3-5-8-18/h3-5,7-8,10-11,13H,6,9,12,15H2,1-2H3