Basic information
- Standard SMILES
COC(=O)C1=C(C(=O)OC)C2(c3ccncc3)OC1c1cc(OC)c(OC)cc12- InChIKey
OJZJNCRFBUXQPP-UHFFFAOYSA-N- Molecular formula
- C21H19NO7
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.11615195
Names & identifiers
- Preferred name
- 1-(4-Pyridyl)-2,3-bis(methoxycarbonyl)-6,7-dimethoxy-1,4-epoxy-1,4-dihydronaphthalene
- IUPAC
- dimethyl 4,5-dimethoxy-1-pyridin-4-yl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
Names & synonyms
SCHEMBL7276210OJZJNCRFBUXQPP-UHFFFAOYSA-N1-(4-Pyridyl)- 2,3-bis(methoxycarbonyl)-6,7-dimethoxy-1,4-epoxy-1,4-dihydronaphthalene
Database identifiers
- PubChem CID
- 19006231
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 701
Related reactions
1 records
Compound notes
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