Ethyl prop-2-en-1-yl 2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Basic information
- CAS
39562-63-5- Standard SMILES
C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1C- InChIKey
MCZNMUAPWJIZET-UHFFFAOYSA-N- Molecular formula
- C21H25NO4
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.17835828
Names & identifiers
- Preferred name
- Ethyl prop-2-en-1-yl 2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- 3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
ethyl prop-2-en-1-yl 2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate39562-63-5DTXSID30960168RefChem:1085094DTXCID101388030Ethyl 2-propenyl 2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydro-3,5-pyridine dicarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-methylphenyl)-, ethyl 2-propenyl esterSCHEMBL11777713
Database identifiers
- CAS
39562-63-5- PubChem CID
- 217745
- DTXSID
DTXSID30960168
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 632
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Compound notes
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