Basic information
- CAS
18429-83-9- Standard SMILES
COc1cc(C(=O)OC2CCC[C@H]3CN(C)CC[C@H]23)cc(OC)c1OC- InChIKey
ITPBBIALPUKKHC-JFXOEICMSA-N- Molecular formula
- C20H29NO5
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.20457303
Names & identifiers
- Preferred name
- 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate
- IUPAC
- [(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate
Names & synonyms
18429-83-9DTXSID509398162-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoateRefChem:1063812DTXCID7013683055-Isoquinolinol, decahydro-2-methyl-, 3,4,5-trimethoxybenzoatetrans-3,4,5-Trimethoxybenzoic acid decahydro-2-methyl-5-isoquinolyl estertrans-9,10-t-5-H-5-(3,4,5-Trimethoxybenzoyloxy)-2-methyldecahydroisoquinolineBENZOIC ACID, 3,4,5-TRIMETHOXY-, DECAHYDRO-2-METHYL-5-ISOQUINOLYL ESTER, trans-(4aS,8aR)-2-methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate
Database identifiers
- CAS
18429-83-9- PubChem CID
- 29070
- DTXSID
DTXSID50939816
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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