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

Systemtic Name: 5-[(3-carboxy-4-phenyl-phenyl)methyl]-2-ethyl-pyrazole-3-carboxylic acid Openeye Name: 5-[(3-carboxy-4-phenyl-phenyl)methyl]-2-ethyl-pyrazole-3-carboxylic acid CAS Name: 5-[(3-carboxy-4-phenylphenyl)methyl]-2-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 5-[(3-carboxy-4-phenylphenyl)methyl]-2-ethylpyrazole-3-carboxylic acid Traditional Name: 5-(3-carboxy-4-phenyl-benzyl)-2-ethyl-pyrazole-3-carboxylic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCN1C(=CC(=N1)CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H18N2O4/c1-2-22-18(20(25)26)12-15(21-22)10-13-8-9-16(17(11-13)19(23)24)14-6-4-3-5-7-14/h3-9,11-12H,2,10H2,1H3,(H,23,24)(H,25,26)