Basic information
- Standard SMILES
C=CCOC(=O)N1CCC(C(=O)O)=Cc2cc(-c3ccc(OCCOCCCC)cc3)ccc21- InChIKey
UUSRJPPHTGQDJB-UHFFFAOYSA-N- Molecular formula
- C27H31NO6
- Average molar mass
- 465.5 g/mol
Names & identifiers
- Preferred name
- 1-(Allyloxycarbonyl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid
- IUPAC
- 7-[4-(2-butoxyethoxy)phenyl]-1-prop-2-enoxycarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid
Names & synonyms
SCHEMBL6343604UUSRJPPHTGQDJB-UHFFFAOYSA-N1-(allyloxycarbonyl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid
Database identifiers
- PubChem CID
- 22329142
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 699
Related reactions
2 records
Compound notes
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