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

Systemtic Name: 2-[2,6-ditert-butyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[2,6-ditert-butyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid CAS Name: 2-[2,6-ditert-butyl-4-[(1-phenyl-3-pyrazolyl)amino]phenyl]acetic acid IUPAC Name: 2-[2,6-ditert-butyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid Traditional Name: 2-[2,6-ditert-butyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1CC(=O)O)C(C)(C)C)NC2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1CC(=O)O)C(C)(C)C)NC2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2/c1-24(2,3)20-14-17(15-21(25(4,5)6)19(20)16-23(29)30)26-22-12-13-28(27-22)18-10-8-7-9-11-18/h7-15H,16H2,1-6H3,(H,26,27)(H,29,30)