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

Systemtic Name: (E)-2-cyano-3-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-benzyl-3-(p-tolyl)pyrazol-4-yl]-2-cyano-prop-2-enoic acid CAS Name: (E)-2-cyano-3-[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[1-benzyl-3-(p-tolyl)pyrazol-4-yl]-2-cyano-acrylic acid Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H17N3O2/c1-15-7-9-17(10-8-15)20-19(11-18(12-22)21(25)26)14-24(23-20)13-16-5-3-2-4-6-16/h2-11,14H,13H2,1H3,(H,25,26)/b18-11+