5-[(3-carboxy-4-phenyl-phenyl)methyl]-2-propan-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 5-[(3-carboxy-4-phenyl-phenyl)methyl]-2-propan-2-yl-pyrazole-3-carboxylic acid Openeye Name: 5-[(3-carboxy-4-phenyl-phenyl)methyl]-2-isopropyl-pyrazole-3-carboxylic acid CAS Name: 5-[(3-carboxy-4-phenylphenyl)methyl]-2-propan-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 5-[(3-carboxy-4-phenylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxylic acid Traditional Name: 5-(3-carboxy-4-phenyl-benzyl)-2-isopropyl-pyrazole-3-carboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC(=N1)CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1C(=CC(=N1)CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H20N2O4/c1-13(2)23-19(21(26)27)12-16(22-23)10-14-8-9-17(18(11-14)20(24)25)15-6-4-3-5-7-15/h3-9,11-13H,10H2,1-2H3,(H,24,25)(H,26,27)