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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C22H22N2O5/c1-26-19-13-17(14-20(27-2)22(19)28-3)7-10-21(25)29-15-16-5-8-18(9-6-16)24-12-4-11-23-24/h4-14H,15H2,1-3H3/b10-7+