5-(2,6-dimethoxyphenyl)-1-[2-propan-2-yl-4-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,6-dimethoxyphenyl)-1-[2-propan-2-yl-4-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 1-[4-(allylcarbamoyl)-2-isopropyl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 5-(2,6-dimethoxyphenyl)-1-[4-[oxo-(prop-2-enylamino)methyl]-2-propan-2-ylphenyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,6-dimethoxyphenyl)-1-[2-propan-2-yl-4-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 1-[4-(allylcarbamoyl)-2-isopropyl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O5/c1-6-12-26-24(29)16-10-11-19(17(13-16)15(2)3)28-20(14-18(27-28)25(30)31)23-21(32-4)8-7-9-22(23)33-5/h6-11,13-15H,1,12H2,2-5H3,(H,26,29)(H,30,31)