(4-cyano-2-methoxy-phenyl) (E)-3-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) (E)-3-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-cyano-2-methoxy-phenyl) (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]acrylic acid (4-cyano-2-methoxy-phenyl) ester Formula: C28H23N3O4 MolecularWeight: 465.49992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C=CC(=O)OC3=C(C=C(C=C3)C#N)OC)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2/C=C/C(=O)OC3=C(C=C(C=C3)C#N)OC)CC4=CC=CC=C4

InChI

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