[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate CAS Name: 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=C(NN=C1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=C(NN=C1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23N3O4/c1-5-18(2,3)20-15(22)11-25-17(23)14-10-19-21-16(14)12-6-8-13(24-4)9-7-12/h6-10H,5,11H2,1-4H3,(H,19,21)(H,20,22)