1-[4-azanyl-2-(2-methylpropyl)phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[4-azanyl-2-(2-methylpropyl)phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-amino-2-isobutyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-[4-amino-2-(2-methylpropyl)phenyl]-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-[4-amino-2-(2-methylpropyl)phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-amino-2-isobutyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)N)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)N)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C22H25N3O4/c1-13(2)10-14-11-15(23)8-9-17(14)25-18(12-16(24-25)22(26)27)21-19(28-3)6-5-7-20(21)29-4/h5-9,11-13H,10,23H2,1-4H3,(H,26,27)