ethyl 4-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-4-keto-butyric acid ethyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC(=NN1C2=C(C=C(C=C2)C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC(=NN1C2=C(C=C(C=C2)C)C)C(C)(C)C

InChI

InChI=1S/C21H29N3O3/c1-7-27-20(26)11-10-19(25)22-18-13-17(21(4,5)6)23-24(18)16-9-8-14(2)12-15(16)3/h8-9,12-13H,7,10-11H2,1-6H3,(H,22,25)