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

Systemtic Name: 2-[[2,6-ditert-butyl-4-[methyl-(1-phenylpyrazol-3-yl)amino]phenyl]methoxy]ethanoic acid Openeye Name: 2-[[2,6-ditert-butyl-4-[methyl-(1-phenylpyrazol-3-yl)amino]phenyl]methoxy]acetic acid CAS Name: 2-[[2,6-ditert-butyl-4-[methyl-(1-phenyl-3-pyrazolyl)amino]phenyl]methoxy]acetic acid IUPAC Name: 2-[[2,6-ditert-butyl-4-[methyl-(1-phenylpyrazol-3-yl)amino]phenyl]methoxy]acetic acid Traditional Name: 2-[2,6-ditert-butyl-4-[methyl-(1-phenylpyrazol-3-yl)amino]benzyl]oxyacetic acid Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1COCC(=O)O)C(C)(C)C)N(C)C2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1COCC(=O)O)C(C)(C)C)N(C)C2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H35N3O3/c1-26(2,3)22-15-20(16-23(27(4,5)6)21(22)17-33-18-25(31)32)29(7)24-13-14-30(28-24)19-11-9-8-10-12-19/h8-16H,17-18H2,1-7H3,(H,31,32)