Benzofuran, 4,7-dimethoxy-6-(2-piperidinoethoxy)-5-cinnamoyl-, oxalate
Basic information
- CAS
41225-94-9- Standard SMILES
COc1c(C(=O)/C=C/c2ccccc2)c(OCC[NH+]2CCCCC2)c(OC)c2occc12.O=C([O-])C(=O)O- InChIKey
LBUWBVLWZOZNLC-CALJPSDSSA-N- Molecular formula
- C28H31NO9
- Average molar mass
- 525.5 g/mol
- Monoisotopic mass
- 525.19988157
Names & identifiers
- Preferred name
- Benzofuran, 4,7-dimethoxy-6-(2-piperidinoethoxy)-5-cinnamoyl-, oxalate
- IUPAC
- (E)-1-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylprop-2-en-1-one;2-hydroxy-2-oxoacetate
Names & synonyms
BENZOFURAN, 4,7-DIMETHOXY-6-(2-PIPERIDINOETHOXY)-5-CINNAMOYL-, OXALATE41225-94-9RefChem:10788825-Cinnamoyl-4,7-dimethoxy-6-piperidinoethoxybenzofuran oxalate4,7-Dimethoxy-6-(2-piperidinoethoxy)-5-cinnamoyl benzofuran oxalate
Database identifiers
- CAS
41225-94-9- PubChem CID
- 6434286
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 691
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Compound notes
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