Basic information
- Standard SMILES
COCc1nc(C(=O)O)c(OCc2ccccc2)c2ccccc12- InChIKey
OEALYWPDKIPBDN-UHFFFAOYSA-N- Molecular formula
- C19H17NO4
- Average molar mass
- 323.3 g/mol
Names & identifiers
- Preferred name
- 4-Benzyloxy-1-methoxymethyl-isoquinoline-3-carboxylic acid
- IUPAC
- 1-(methoxymethyl)-4-phenylmethoxyisoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL522785OEALYWPDKIPBDN-UHFFFAOYSA-N4-Benzyloxy-1-methoxymethyl-isoquinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 66712892
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 410
Related reactions
18 records
Compound notes
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