Basic information
- Standard SMILES
COC(=O)N1CC[C@@H]2[C@H]1CCC[C@]2(C#Cc1cccc(C)c1)OC(=O)CCC(=O)N1CCCC1- InChIKey
SRKOJHVFGQXASP-AZSVPQILSA-N- Molecular formula
- C27H34N2O5
- Average molar mass
- 466.6 g/mol
Names & identifiers
- Preferred name
- (3aR,4S,7aR)-4-(4-oxo-4-pyrrolidin-1-yl-butyryloxy)-4-m-tolylethynyl-octahydro-indole-1-carboxylic acid methyl ester
- IUPAC
- methyl (3aR,4S,7aR)-4-[2-(3-methylphenyl)ethynyl]-4-(4-oxo-4-pyrrolidin-1-ylbutanoyl)oxy-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
Names & synonyms
SCHEMBL12466208SRKOJHVFGQXASP-AZSVPQILSA-N(3aR,4S,7aR)-4-(4-oxo-4-pyrrolidin-1-yl-butyryloxy)-4-m-tolylethynyl-octahydro-indole-1-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 60142444
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 838
Related reactions
1 records
Compound notes
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