methyl sinapate

• methyl sinapate
• bmse000589 - data
• bmse010221 - data

InCHi String:
InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+

canonical SMILES:
COC1=CC(=CC(=C1O)OC)C=CC(=O)OC
isomeric SMILES:
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC


PUBCHEM iupac NAME
methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

PUBCHEM iupac TRADITIONAL NAME
(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid methyl ester

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
methyl (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate

PUBCHEM iupac CAS NAME
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid methyl ester



PubChem Substance (SID):   85165364   737352   39294577
PubChem Compound (CID):   5321318
KEGG: Compound ID   n/a
CAS Registry IDs:   20733-94-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChemIDplus 020733942   ChemSpider 4479104