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

Systemtic Name: (E)-2-cyano-3-[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoic acid CAS Name: (E)-2-cyano-3-[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-cyano-acrylic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H17N3O3/c1-27-19-9-5-8-16(11-19)20-18(10-17(12-22)21(25)26)14-24(23-20)13-15-6-3-2-4-7-15/h2-11,14H,13H2,1H3,(H,25,26)/b17-10+