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

Systemtic Name: 2-[2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]ethanoyloxy]ethanoic acid Openeye Name: 2-[2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetyl]oxyacetic acid CAS Name: 2-[2-[2,6-dimethyl-4-[(1-phenyl-3-pyrazolyl)amino]phenyl]-1-oxoethoxy]acetic acid IUPAC Name: 2-[2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetyl]oxyacetic acid Traditional Name: 2-[2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetyl]oxyacetic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-14-10-16(11-15(2)18(14)12-21(27)28-13-20(25)26)22-19-8-9-24(23-19)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,22,23)(H,25,26)