Basic information
- Standard SMILES
CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)OC)CCC3C1CC1- InChIKey
NCKRUYRFXTVFLI-UHFFFAOYSA-N- Molecular formula
- C22H29NO2
- Average molar mass
- 339.5 g/mol
Names & identifiers
- Preferred name
- 4-Cyclopropyl-1,8-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-acetic Acid Methyl Ester
- IUPAC
- methyl 2-(4-cyclopropyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetate
Names & synonyms
SCHEMBL10850807NCKRUYRFXTVFLI-UHFFFAOYSA-N4-Cyclopropyl-1,8-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-acetic Acid Methyl Ester
Database identifiers
- PubChem CID
- 13649243
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 502
Related reactions
1 records
Compound notes
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