Basic information
- Standard SMILES
CCOC(=O)c1ccc(-n2cc(C#N)c3ccc(OCc4ccccc4)cc32)cc1OCOC- InChIKey
ZOFUMQSZHNNBJK-UHFFFAOYSA-N- Molecular formula
- C27H24N2O5
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.16852187
Names & identifiers
- Preferred name
- 4-(6-Benzyloxy-3-cyanoindol-1-yl)-2-methoxymethoxybenzoic acid ethyl ester
- IUPAC
- ethyl 4-(3-cyano-6-phenylmethoxyindol-1-yl)-2-(methoxymethoxy)benzoate
Names & synonyms
SCHEMBL187356ZOFUMQSZHNNBJK-UHFFFAOYSA-N4-(6-benzyloxy-3-cyanoindol-1-yl)-2-methoxymethoxybenzoic acid ethyl ester
Database identifiers
- PubChem CID
- 58437286
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 702
Related reactions
5 records
Compound notes
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