[2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] (E)-3-phenylprop-2-enoate Openeye Name: [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [2-(2,3-dimethylphenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-ethylpyrazol-3-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)C=CC2=CC=CC=C2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)/C=C/C2=CC=CC=C2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C22H22N2O2/c1-4-19-15-21(24(23-19)20-12-8-9-16(2)17(20)3)26-22(25)14-13-18-10-6-5-7-11-18/h5-15H,4H2,1-3H3/b14-13+