Benzoic acid, 3,4,5-trimethoxy-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl ester
Basic information
- CAS
55798-57-7- Standard SMILES
CCC1(CC)C(=O)NC=C(COC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O- InChIKey
PYPJQQVSWUHBLH-UHFFFAOYSA-N- Molecular formula
- C20H25NO7
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.16310214
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl ester
- IUPAC
- (5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 3,4,5-trimethoxybenzoate
Names & synonyms
55798-57-7Benzoic acid, 3,4,5-trimethoxy-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl esterDTXSID302043723,3-Diethyl-5-(3,4,5-trimethoxybenzoyloxymethyl)-2,4-pyridinedioneRefChem:326987DTXCID30126863(5,5-Diethyl-4,6-dioxo-1,4,5,6-tetrahydropyridin-3-yl)methyl 3,4,5-trimethoxybenzoate
Database identifiers
- CAS
55798-57-7- PubChem CID
- 41628
- DTXSID
DTXSID30204372
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 612
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Compound notes
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