Basic information
- Standard SMILES
COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CCC2=O- InChIKey
NEJXWLUELALZHN-MNJOZVQWSA-N- Molecular formula
- C22H26O5
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- (Z)-7-[(1R,2S,3R)-3-Hydroxy-5-oxo-2-(1-oxo-indan-5-yl)-cyclopentyl]-hept-5-enoic acid methyl ester
- IUPAC
- methyl (Z)-7-[(1R,2S,3R)-3-hydroxy-5-oxo-2-(1-oxo-2,3-dihydroinden-5-yl)cyclopentyl]hept-5-enoate
Names & synonyms
SCHEMBL5239420CHEMBL3970147NEJXWLUELALZHN-MNJOZVQWSA-N(Z)-7-[(1R,2S,3R)-3-Hydroxy-5-oxo-2-(1-oxo-indan-5-yl)-cyclopentyl]-hept-5-enoic acid methyl ester
Database identifiers
- PubChem CID
- 11955337
- ChEMBL
CHEMBL3970147
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 596
Related reactions
1 records
Compound notes
Loading…