Basic information
- Standard SMILES
CCCCC1CC(=O)C(C(=O)OCC)=CN1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1- InChIKey
SMLIKOHCZLXQQB-UHFFFAOYSA-N- Molecular formula
- C30H37NO5
- Average molar mass
- 491.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-[(2'-t-butoxycarbonylbiphenyl-4-yl)methyl]-6-n-butyl-4-oxo-1,4,5,6-tetrahydronicotinate
- IUPAC
- ethyl 2-butyl-1-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]-4-oxo-2,3-dihydropyridine-5-carboxylate
Names & synonyms
SCHEMBL9192120SMLIKOHCZLXQQB-UHFFFAOYSA-NEthyl 1-[(2'-t-butoxycarbonylbiphenyl-4-yl)methyl]-6-n-butyl-4-oxo-1,4,5,6-tetrahydronicotinate
Database identifiers
- PubChem CID
- 19087856
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 790
Related reactions
2 records
Compound notes
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