(4-pyrazol-1-ylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)OCC#N

InChI

InChI=1S/C22H19N3O4/c1-27-21-15-17(5-9-20(21)28-14-11-23)6-10-22(26)29-16-18-3-7-19(8-4-18)25-13-2-12-24-25/h2-10,12-13,15H,14,16H2,1H3/b10-6+