Basic information
- Standard SMILES
CC(=O)NCCc1cccc2ccc(OCCOc3ccc(-c4ccc(C(=O)O)cc4)cc3)cc12- InChIKey
VUFLBMQPNHUFQK-UHFFFAOYSA-N- Molecular formula
- C29H27NO5
- Average molar mass
- 469.5 g/mol
Names & identifiers
- Preferred name
- 4'-[2-({8-[2-(Acetylamino)ethyl]-2-naphthyl}oxy)ethoxy]-[1,1'-biphenyl]-4-carboxylic acid
- IUPAC
- 4-[4-[2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyethoxy]phenyl]benzoic acid
Names & synonyms
SCHEMBL5350648VUFLBMQPNHUFQK-UHFFFAOYSA-N4'-[2-({8-[2-(Acetylamino)ethyl]-2-naphthyl}oxy)ethoxy]-[1,1'-biphenyl]-4-carboxylic acid
Database identifiers
- PubChem CID
- 15540841
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 668
Related reactions
2 records
Compound notes
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