(4-pyrazol-1-ylphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethoxyphenyl)acrylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H20N2O4/c1-25-19-9-10-20(26-2)17(14-19)6-11-21(24)27-15-16-4-7-18(8-5-16)23-13-3-12-22-23/h3-14H,15H2,1-2H3/b11-6+