3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-methoxyphenyl)-, ethyl 2-propoxyethyl ester
Basic information
- CAS
39562-68-0- Standard SMILES
CCCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1OC- InChIKey
BVVZHXFSJBTFEX-UHFFFAOYSA-N- Molecular formula
- C23H31NO6
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.21513771
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-methoxyphenyl)-, ethyl 2-propoxyethyl ester
- IUPAC
- 3-O-ethyl 5-O-(2-propoxyethyl) 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
39562-68-03,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-methoxyphenyl)-, ethyl 2-propoxyethyl esterRefChem:1066010Ethyl 2-propoxyethyl 2,6-dimethyl-4-(2-methoxyphenyl)-1,4-dihydro-3,5-pyridinedicarboxylateethyl 2-propoxyethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateSCHEMBL11777812DTXSID20960172
Database identifiers
- CAS
39562-68-0- PubChem CID
- 217749
- DTXSID
DTXSID20960172
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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