4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzoic acid

Systemtic Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzoic acid Openeye Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzoic acid CAS Name: 4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]benzoic acid IUPAC Name: 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzoic acid Traditional Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzoic acid Formula: C19H18N2O2 MolecularWeight: 306.35842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H18N2O2/c1-13-18(12-15-8-10-16(11-9-15)19(22)23)14(2)21(20-13)17-6-4-3-5-7-17/h3-11H,12H2,1-2H3,(H,22,23)