Ethyl prop-2-en-1-yl 2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Basic information
- CAS
39562-00-0- Standard SMILES
C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC)c(OC)c1OC- InChIKey
DIQKZLKEQDIIQX-UHFFFAOYSA-N- Molecular formula
- C23H29NO7
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.19440226
Names & identifiers
- Preferred name
- Ethyl prop-2-en-1-yl 2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- 3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
DTXSID5096016539562-00-0Ethyl prop-2-en-1-yl 2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylateRefChem:1085093DTXCID4013880273,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-, ethyl 2-propenyl esterSCHEMBL11781628
Database identifiers
- CAS
39562-00-0- PubChem CID
- 217744
- DTXSID
DTXSID50960165
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 742
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Compound notes
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