Basic information
- Standard SMILES
Cl.N#Cc1ccccc1-c1ccc(CNC2(C(=O)OCc3ccccc3)CCCC2)cc1- InChIKey
VGGKUTYGMGQQEC-UHFFFAOYSA-N- Molecular formula
- C27H27ClN2O2
- Average molar mass
- 447 g/mol
Names & identifiers
- Preferred name
- N-(1-benzyloxycarbonylcyclopentyl)-N-(2'-cyano-biphenyl-4-ylmethyl)-amine hydrochloride
- IUPAC
- benzyl 1-[[4-(2-cyanophenyl)phenyl]methylamino]cyclopentane-1-carboxylate;hydrochloride
Names & synonyms
SCHEMBL2951VGGKUTYGMGQQEC-UHFFFAOYSA-NN-(1-benzyloxycarbonylcyclopentyl)-N-(2'-cyano-biphenyl-4-ylmethyl)-amine hydrochloride
Database identifiers
- PubChem CID
- 20083511
Properties
Computed structural properties
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 618
Related reactions
1 records
Compound notes
Loading…