3-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: 3-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-[1-benzyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: 3-[1-benzyl-3-(p-tolyl)pyrazol-4-yl]acrylic acid Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2/c1-15-7-9-17(10-8-15)20-18(11-12-19(23)24)14-22(21-20)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,23,24)