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

Systemtic Name: (E)-2-cyano-3-[3-(4-ethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoic acid CAS Name: (E)-2-cyano-3-[3-(4-ethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]-2-cyano-acrylic acid Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O2/c1-2-16-8-10-18(11-9-16)21-20(12-19(13-23)22(26)27)15-25(24-21)14-17-6-4-3-5-7-17/h3-12,15H,2,14H2,1H3,(H,26,27)/b19-12+