5-[[4-(2-carboxyphenyl)phenyl]methyl]-3-propan-2-yl-1-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[4-(2-carboxyphenyl)phenyl]methyl]-3-propan-2-yl-1-propyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[4-(2-carboxyphenyl)phenyl]methyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylic acid CAS Name: 5-[[4-(2-carboxyphenyl)phenyl]methyl]-3-propan-2-yl-1-propyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[4-(2-carboxyphenyl)phenyl]methyl]-3-propan-2-yl-1-propylpyrazole-4-carboxylic acid Traditional Name: 5-[4-(2-carboxyphenyl)benzyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)C(C)C)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCN1C(=C(C(=N1)C(C)C)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H26N2O4/c1-4-13-26-20(21(24(29)30)22(25-26)15(2)3)14-16-9-11-17(12-10-16)18-7-5-6-8-19(18)23(27)28/h5-12,15H,4,13-14H2,1-3H3,(H,27,28)(H,29,30)