2-[2,6-ditert-butyl-4-[methyl-(1-phenylpyrazol-3-yl)amino]phenyl]ethanoate

Systemtic Name: 2-[2,6-ditert-butyl-4-[methyl-(1-phenylpyrazol-3-yl)amino]phenyl]ethanoate Openeye Name: 2-[2,6-ditert-butyl-4-[methyl-(1-phenylpyrazol-3-yl)amino]phenyl]acetate CAS Name: 2-[2,6-ditert-butyl-4-[methyl-(1-phenyl-3-pyrazolyl)amino]phenyl]acetate IUPAC Name: 2-[2,6-ditert-butyl-4-[methyl-(1-phenylpyrazol-3-yl)amino]phenyl]acetate Traditional Name: 2-[2,6-ditert-butyl-4-[methyl-(1-phenylpyrazol-3-yl)amino]phenyl]acetate Formula: C26H32N3O2- MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1CC(=O)[O-])C(C)(C)C)N(C)C2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1CC(=O)[O-])C(C)(C)C)N(C)C2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O2/c1-25(2,3)21-15-19(16-22(26(4,5)6)20(21)17-24(30)31)28(7)23-13-14-29(27-23)18-11-9-8-10-12-18/h8-16H,17H2,1-7H3,(H,30,31)/p-1