Basic information
- Standard SMILES
CCOC(=O)CCCC1CCN(CCC=C2c3ccccc3CCc3ccccc32)CC1- InChIKey
MNUGAYOQDXKTFU-UHFFFAOYSA-N- Molecular formula
- C29H37NO2
- Average molar mass
- 431.6 g/mol
Names & identifiers
- Preferred name
- 4-(1-(3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-propyl)piperidin4-yl)butyric acid ethyl ester
- IUPAC
- ethyl 4-[1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperidin-4-yl]butanoate
Names & synonyms
SCHEMBL8180481MNUGAYOQDXKTFU-UHFFFAOYSA-N4-(1-(3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-propyl)piperidin-4-yl)butyric acid ethyl ester4-(1-(3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-propyl)piperidin4-yl)butyric acid ethyl ester
Database identifiers
- PubChem CID
- 54082016
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 580
Related reactions
7 records
Compound notes
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