[2-tert-butyl-4-[(1-propylpyrazol-3-yl)amino]phenyl] 3,3-dimethylbutanoate

Systemtic Name: [2-tert-butyl-4-[(1-propylpyrazol-3-yl)amino]phenyl] 3,3-dimethylbutanoate Openeye Name: [2-tert-butyl-4-[(1-propylpyrazol-3-yl)amino]phenyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-tert-butyl-4-[(1-propyl-3-pyrazolyl)amino]phenyl] ester IUPAC Name: [2-tert-butyl-4-[(1-propylpyrazol-3-yl)amino]phenyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-tert-butyl-4-[(1-propylpyrazol-3-yl)amino]phenyl] ester Formula: C22H33N3O2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=N1)NC2=CC(=C(C=C2)OC(=O)CC(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCN1C=CC(=N1)NC2=CC(=C(C=C2)OC(=O)CC(C)(C)C)C(C)(C)C

InChI

InChI=1S/C22H33N3O2/c1-8-12-25-13-11-19(24-25)23-16-9-10-18(17(14-16)22(5,6)7)27-20(26)15-21(2,3)4/h9-11,13-14H,8,12,15H2,1-7H3,(H,23,24)