[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [2-[(2,5-dimethyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)NC2=CC(=NN2C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)NC2=CC(=NN2C)C)Cl

InChI

InChI=1S/C18H22ClN3O4/c1-12-9-14(6-7-15(12)19)25-8-4-5-18(24)26-11-17(23)20-16-10-13(2)21-22(16)3/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,20,23)