Basic information
- Standard SMILES
COC(=O)c1ccc(N2CCc3ccccc3C2)cc1- InChIKey
FMSQUEQRGGAYBF-UHFFFAOYSA-N- Molecular formula
- C17H17NO2
- Average molar mass
- 267.32 g/mol
Names & identifiers
- Preferred name
- methyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)benzoate
- IUPAC
- methyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)benzoate
Names & synonyms
SCHEMBL30109340
Database identifiers
- PubChem CID
- 57327469
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Related reactions
1 records
Compound notes
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