Basic information
- Standard SMILES
COc1ccc2c(c1)CCC1C2CN(C(=O)Cc2ccccc2)C1Cc1ccccc1- InChIKey
HMHCETMEEJFULU-UHFFFAOYSA-N- Molecular formula
- C28H29NO2
- Average molar mass
- 411.5 g/mol
Names & identifiers
- Preferred name
- 2,3,3a,4,5,9b-hexahydro-7-methoxy-2-phenylmethylcarbonyl-3-phenylmethyl-1H-benz[e]isoindole
- IUPAC
- 1-(3-benzyl-7-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)-2-phenylethanone
Names & synonyms
SCHEMBL9448062HMHCETMEEJFULU-UHFFFAOYSA-N2,3,3a,4,5,9b-hexahydro-7-methoxy-2-phenylmethylcarbonyl-3-phenylmethyl-1H-benz[e]isoindole
Database identifiers
- PubChem CID
- 19793376
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 594
Related reactions
3 records
Compound notes
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