[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5/c1-25(2,3)21-14-22(28(27-21)18-7-5-4-6-8-18)26-23(29)15-31-24(30)12-10-17-9-11-19-20(13-17)33-16-32-19/h4-9,11,13-14H,10,12,15-16H2,1-3H3,(H,26,29)