Basic information
- Standard SMILES
CCOC(=O)c1ccc(-n2cc(C#N)c3ccc(O)cc32)cc1OCOC- InChIKey
YAEVNJHWNCYPPS-UHFFFAOYSA-N- Molecular formula
- C20H18N2O5
- Average molar mass
- 366.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-Cyano-6-hydroxyindol-1-yl)-2-methoxymethoxybenzoic acid ethyl ester
- IUPAC
- ethyl 4-(3-cyano-6-hydroxyindol-1-yl)-2-(methoxymethoxy)benzoate
Names & synonyms
SCHEMBL187230YAEVNJHWNCYPPS-UHFFFAOYSA-N4-(3-Cyano-6-hydroxyindol-1-yl)-2-methoxymethoxybenzoic acid ethyl ester
Database identifiers
- PubChem CID
- 58437526
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 562
Related reactions
10 records
Compound notes
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