Basic information
- Standard SMILES
CCOC(=O)C1Cc2c(ccc(OC)c2OCc2ccc(OC)c(C)c2)CN1C(=O)C(c1ccccc1)c1ccccc1- InChIKey
MISUXRLGDWDFTR-UHFFFAOYSA-N- Molecular formula
- C36H37NO6
- Average molar mass
- 579.7 g/mol
Names & identifiers
- Preferred name
- (RS)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-[(4-methoxy-3-methylphenyl)methoxy]-3-isoquinolinecarboxylic acid, ethyl ester
- IUPAC
- ethyl 2-(2,2-diphenylacetyl)-6-methoxy-5-[(4-methoxy-3-methylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylate
Names & synonyms
MISUXRLGDWDFTR-UHFFFAOYSA-NL009866(RS)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy -5-[(4-methoxy-3-methylphenyl)methoxy]-3-isoquinolinecarboxylic acid, ethyl ester(RS)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-[(4 -methoxy-3-methylphenyl)methoxy]-3-isoquinolinecarboxylic acid, ethyl ester(RS)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-[(4-methoxy-3-methylphenyl)methoxy]-3-isoquinolinecarboxylic acid, ethyl ester
Database identifiers
- PubChem CID
- 15230314
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 867
Related reactions
6 records
Linked notes
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