(4-cyanophenyl)methyl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-cyanophenyl)methyl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-cyanophenyl)methyl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (4-cyanobenzyl) ester Formula: C28H23N3O4 MolecularWeight: 465.49992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)OCC3=CC=C(C=C3)C#N)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC3=CC=C(C=C3)C#N)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H23N3O4/c1-33-25-14-12-22(16-26(25)34-2)28-23(18-31(30-28)24-6-4-3-5-7-24)13-15-27(32)35-19-21-10-8-20(17-29)9-11-21/h3-16,18H,19H2,1-2H3/b15-13+