3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 1-benzyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylate IUPAC Name: 1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(p-tolyl)pyrazole-4-carboxylate Formula: C18H15N2O2- MolecularWeight: 291.3239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2/c1-13-7-9-15(10-8-13)17-16(18(21)22)12-20(19-17)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,21,22)/p-1