2-[[2-(2,6-dimethylphenyl)-5-(1-methylcyclopropyl)pyrazol-3-yl]amino]benzoic acid

Systemtic Name: 2-[[2-(2,6-dimethylphenyl)-5-(1-methylcyclopropyl)pyrazol-3-yl]amino]benzoic acid Openeye Name: 2-[[2-(2,6-dimethylphenyl)-5-(1-methylcyclopropyl)pyrazol-3-yl]amino]benzoic acid CAS Name: 2-[[2-(2,6-dimethylphenyl)-5-(1-methylcyclopropyl)-3-pyrazolyl]amino]benzoic acid IUPAC Name: 2-[[2-(2,6-dimethylphenyl)-5-(1-methylcyclopropyl)pyrazol-3-yl]amino]benzoic acid Traditional Name: 2-[[2-(2,6-dimethylphenyl)-5-(1-methylcyclopropyl)pyrazol-3-yl]amino]benzoic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=CC(=N2)C3(CC3)C)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=CC(=N2)C3(CC3)C)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H23N3O2/c1-14-7-6-8-15(2)20(14)25-19(13-18(24-25)22(3)11-12-22)23-17-10-5-4-9-16(17)21(26)27/h4-10,13,23H,11-12H2,1-3H3,(H,26,27)