Basic information
- Standard SMILES
COC(=O)c1ccc(Cc2cccc3ccc(C#N)cc23)c(OC)c1- InChIKey
BGPPZDFRBCIMAP-UHFFFAOYSA-N- Molecular formula
- C21H17NO3
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(7-cyanonaphth-1-ylmethyl)-3-methoxybenzoate
- IUPAC
- methyl 4-[(7-cyanonaphthalen-1-yl)methyl]-3-methoxybenzoate
Names & synonyms
SCHEMBL9634228BGPPZDFRBCIMAP-UHFFFAOYSA-Nmethyl 4-(7-cyanonaphth-1-ylmethyl)-3-methoxybenzoate
Database identifiers
- PubChem CID
- 19906375
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 511
Related reactions
6 records
Compound notes
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