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

Systemtic Name: 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid CAS Name: 2-[3,6-dimethoxy-2-methyl-4-[(1-phenyl-3-pyrazolyl)amino]phenyl]acetic acid IUPAC Name: 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid Traditional Name: 2-[3,6-dimethoxy-2-methyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]acetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-13-15(11-19(24)25)17(26-2)12-16(20(13)27-3)21-18-9-10-23(22-18)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,21,22)(H,24,25)