3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid CAS Name: 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid Formula: C19H18N2O2 MolecularWeight: 306.35842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)O)CC3=CC=CC=C3)C

InChI

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