2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]ethanoic acid

Systemtic Name: 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid CAS Name: 2-[2,3,5,6-tetramethyl-4-[(1-phenyl-3-pyrazolyl)amino]phenyl]acetic acid IUPAC Name: 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid Traditional Name: 2-[2,3,5,6-tetramethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CC(=O)O)C)C)NC2=NN(C=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=C(C(=C1CC(=O)O)C)C)NC2=NN(C=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O2/c1-13-15(3)21(16(4)14(2)18(13)12-20(25)26)22-19-10-11-24(23-19)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,22,23)(H,25,26)