Basic information
- Standard SMILES
COC(=O)c1ccc(C)c(NC(=O)C=Cc2ccc(OC)c(OC)c2OC)c1- InChIKey
VBOGAPASVYFOLW-UHFFFAOYSA-N- Molecular formula
- C21H23NO6
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.15253745
Names & identifiers
- Preferred name
- 4-Methyl-3-[3-(2,3,4-trimethoxy-phenyl)-acryloylamino]-benzoic acid methyl ester
- IUPAC
- methyl 4-methyl-3-[3-(2,3,4-trimethoxyphenyl)prop-2-enoylamino]benzoate
Names & synonyms
SCHEMBL4666926VBOGAPASVYFOLW-UHFFFAOYSA-N4-Methyl-3-[3-(2,3,4-trimethoxy-phenyl)-acryloylamino]-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 5203494
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 551
Related reactions
3 records
Compound notes
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