Basic information
- Standard SMILES
COC(=O)CCCC/C=C(\COc1cccc2ccccc12)C(=O)NCCCn1ccnc1- InChIKey
OJSGKZUXTMRJPE-LSHDLFTRSA-N- Molecular formula
- C26H31N3O4
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.23145648
Names & identifiers
- Preferred name
- methyl (E)-8-(3-(1H-imidazol-1-yl)propylamino)-7-((naphthalen-1-yloxy)methyl)-8-oxo-6-octenoate
- IUPAC
- methyl (E)-8-(3-imidazol-1-ylpropylamino)-7-(naphthalen-1-yloxymethyl)-8-oxooct-6-enoate
Names & synonyms
SCHEMBL1306260OJSGKZUXTMRJPE-LSHDLFTRSA-Nmethyl (E)-8-(3-(1H-imidazol-1-yl)propylamino)-7-((naphthalen-1-yloxy)methyl)-8-oxo-6-octenoate
Database identifiers
- PubChem CID
- 66986989
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 639
Related reactions
1 records
Compound notes
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