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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid CAS Name: 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C19H18N2O4/c1-24-16-9-8-14(10-17(16)25-2)18-15(19(22)23)12-21(20-18)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,22,23)