3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)-, dimethyl ester
Basic information
- CAS
110714-49-3- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc2c(=O)c(C)c(-c3ccccc3)oc12- InChIKey
MHPRFJAYKKVBLY-UHFFFAOYSA-N- Molecular formula
- C27H25NO6
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.16818752
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)-, dimethyl ester
- IUPAC
- dimethyl 2,6-dimethyl-4-(3-methyl-4-oxo-2-phenylchromen-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)-, dimethyl esterDimethyl 2,6-dimethyl-4-(3-methylflavon-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate110714-49-3DTXSID40149366RefChem:272125DTXCID8071857SCHEMBL9746657Dimethyl 2,6-dimethyl-4-(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
110714-49-3- PubChem CID
- 3066643
- DTXSID
DTXSID40149366
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 930
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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