Einecs 298-462-3
Basic information
- CAS
93804-84-3- Standard SMILES
O=C1CC[C@@H](C(=O)O)N1.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2- InChIKey
FHINORBAQBNMKN-HVDRVSQOSA-N- Molecular formula
- C26H36N2O4
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.26750763
Names & identifiers
- Preferred name
- Einecs 298-462-3
- IUPAC
- 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(2S)-5-oxopyrrolidine-2-carboxylic acid
Names & synonyms
EINECS 298-462-393804-84-35-Oxo-L-proline, compound with alpha-bicyclo(2.2.1)hept-5-en-2-yl-alpha-phenylpiperidine-1-propanol (1:1)DTXSID50917816NS00091942(2S)-5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--1-(bicyclo[2.2.1]hept-5-en-2-yl)-1-phenyl-3-(piperidin-1-yl)propan-1-ol (1/1)5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--1-(bicyclo[2.2.1]hept-5-en-2-yl)-1-phenyl-3-(piperidin-1-yl)propan-1-ol (1/1)
Database identifiers
- CAS
93804-84-3- PubChem CID
- 44148444
- DTXSID
DTXSID50917816- EC Number
- 298-462-3
Properties
Computed structural properties
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 576
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Compound notes
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