Basic information
- Standard SMILES
CC1=C(C(=O)O)C(c2ccccc2)C(C(=O)OC(C)(C)C)=C(C)N1- InChIKey
BWKGAYSQENTLJQ-UHFFFAOYSA-N- Molecular formula
- C19H23NO4
- Average molar mass
- 329.4 g/mol
Names & identifiers
- Preferred name
- (+)-Tertbutyl 2,6-dimethyl-4-phenyl-5-carboxy-1,4-dihydropyridine-3-carboxylate
- IUPAC
- 2,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,4-dihydropyridine-3-carboxylic acid
Names & synonyms
SCHEMBL9502874BWKGAYSQENTLJQ-UHFFFAOYSA-N(+)-tertbutyl 2,6-dimethyl-4-phenyl-5-carboxy-1,4-dihydropyridine-3-carboxylate
Database identifiers
- PubChem CID
- 19796437
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 589
Related reactions
1 records
Compound notes
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