Carbanilic acid, o-pentyloxy-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (E)-
Basic information
- CAS
38198-38-8- Standard SMILES
CCCCCOc1ccccc1NC(=O)O[C@@H]1CCCC[C@H]1[NH+]1CCCC1.[Cl-]- InChIKey
SJAMQFSTCUEEDS-GNGUGDOWSA-N- Molecular formula
- C22H35ClN2O3
- Average molar mass
- 411 g/mol
- Monoisotopic mass
- 410.2336207
Names & identifiers
- Preferred name
- Carbanilic acid, o-pentyloxy-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (E)-
- IUPAC
- [(1R,2R)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(2-pentoxyphenyl)carbamate chloride
Names & synonyms
o-Pentyloxycarbanilic acid trans-2-(1-pyrrolidinyl)cyclohexyl ester hydrochlorideCarbanilic acid, o-pentyloxy-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (E)-38198-38-8RefChem:333138
Database identifiers
- CAS
38198-38-8- PubChem CID
- 37946
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…