Basic information
- Standard SMILES
CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3CC2CCC2)cc1- InChIKey
RNSNHUWJVDBSHH-UHFFFAOYSA-N- Molecular formula
- C28H35NO4
- Average molar mass
- 449.6 g/mol
Names & identifiers
- Preferred name
- 7-[4-(2-butoxyethoxy)phenyl]-1-cyclobutylmethyl-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid
- IUPAC
- 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclobutylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid
Names & synonyms
SCHEMBL6339709RNSNHUWJVDBSHH-UHFFFAOYSA-N7-[4-(2-butoxyethoxy)phenyl]-1-cyclobutylmethyl-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid
Database identifiers
- PubChem CID
- 22329313
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 638
Related reactions
2 records
Compound notes
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