Basic information
- Standard SMILES
O=C1OCC/C1=C/c1ccccc1OC[C@@H](O)CN1CCC(c2ccc3ccccc3c2)CC1- InChIKey
ZZWHNODFKXQFNR-QXEJOFBLSA-N- Molecular formula
- C29H31NO4
- Average molar mass
- 457.6 g/mol
Names & identifiers
- Preferred name
- (Z)-(S)-alpha-(2'-(2-hydroxy-3-(4-(naphthalen-2-yl)piperidino)-propyloxy)benzylidene)-gamma-butyrolactone
- IUPAC
- (3Z)-3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methylidene]oxolan-2-one
Names & synonyms
SCHEMBL5584536ZZWHNODFKXQFNR-QXEJOFBLSA-N(Z)-(S)-alpha-(2'-(2-hydroxy-3-(4-(naphthalen-2-yl)piperidino) -propyloxy) benzylidene)-gamma-butyrolactone(Z)-(S)-alpha-(2'-(2-hydroxy-3-(4-(naphthalen-2-yl)piperidino)-propyloxy)benzylidene)-gamma-butyrolactone(Z)-(S)-alpha-(2'-(2-hydroxy-3-(4-(naphthalen-2-yl)piperidino)propyloxy)benzylidene)-gamma-butyrolactone
Database identifiers
- PubChem CID
- 9868720
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 700
Related reactions
2 records
Compound notes
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