Basic information
- Standard SMILES
CCOC(=O)C1Cc2c(ccc(OC)c2O)CN1C(=O)C(c1ccccc1)c1ccccc1- InChIKey
GLSDCSJFNRKEDM-UHFFFAOYSA-N- Molecular formula
- C27H27NO5
- Average molar mass
- 445.5 g/mol
Names & identifiers
- Preferred name
- (RS)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-5-hydroxy-6-methoxy-3-isoquinolinecarboxylic acid, ethyl ester
- IUPAC
- ethyl 2-(2,2-diphenylacetyl)-5-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate
Names & synonyms
SCHEMBL28464301SCHEMBL30428426GLSDCSJFNRKEDM-UHFFFAOYSA-N(RS)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-5-hydroxy -6-methoxy-3-isoquinolinecarboxylic acid, ethyl ester(RS)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-5-hydroxy-6-methoxy-3-isoquinolinecarboxylic acid, ethyl ester
Database identifiers
- PubChem CID
- 15296729
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 639
Related reactions
7 records
Linked notes
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