Basic information
- Standard SMILES
COc1cccc2[nH]c(CCCN(C)CC[C@]3(OC(=O)NC(C)C)C[C@H]4CC[C@@H]3C=C4c3ccccc3)nc12- InChIKey
FNNJKLMVJNWTNF-VJQVOXFUSA-N- Molecular formula
- C32H42N4O3
- Average molar mass
- 530.7 g/mol
Names & identifiers
- Preferred name
- rac-isopropyl-carbamic acid (1R*,2R*,4R*)-2-(2-{[3-(4-methoxy-1H-benzoimidazol-2-yl)-propyl]-methyl-amino}-ethyl)-5-phenyl-bicyclo[2.2.2]oct-5-en-2-yl ester
- IUPAC
- [(1R,2R,4R)-2-[2-[3-(4-methoxy-1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-5-phenyl-2-bicyclo[2.2.2]oct-5-enyl] N-propan-2-ylcarbamate
Names & synonyms
FNNJKLMVJNWTNF-VJQVOXFUSA-Nrac-isopropyl-carbamic acid (1R*,2R*,4R*)-2-(2-{[3-(4-methoxy-1H-benzoimidazol-2-yl)-propyl]-methyl-amino}-ethyl)-5-phenyl-bicyclo[2.2.2]oct-5-en-2-yl ester
Database identifiers
- PubChem CID
- 90802441
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 843
Related reactions
1 records
Compound notes
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