(1,3-diphenylpyrazol-4-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H21N3O3/c1-32-25-14-12-20(13-15-25)16-22(17-28)27(31)33-19-23-18-30(24-10-6-3-7-11-24)29-26(23)21-8-4-2-5-9-21/h2-16,18H,19H2,1H3/b22-16+