Basic information
- Standard SMILES
COC(=O)/C=C/c1ccc(-c2ccc(OCC#N)c(C34CC5CC(CC(C5)C3)C4)c2)cc1- InChIKey
AQYQQSZHKOLZDB-RUDMXATFSA-N- Molecular formula
- C28H29NO3
- Average molar mass
- 427.5 g/mol
Names & identifiers
- Preferred name
- (E)-3-(3'-adamantan-1-yl-4'-cyanomethoxybiphenyl-4-yl)-acrylic acid methyl ester
- IUPAC
- methyl (E)-3-[4-[3-(1-adamantyl)-4-(cyanomethoxy)phenyl]phenyl]prop-2-enoate
Names & synonyms
SCHEMBL2416033AQYQQSZHKOLZDB-RUDMXATFSA-N(E)-3-(3'-adamantan-1-yl-4'-cyanomethoxybiphenyl-4-yl)-acrylic acid methyl ester
Database identifiers
- PubChem CID
- 67399554
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 715
Related reactions
2 records
Compound notes
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