Basic information
- Standard SMILES
CCCC(CCc1ccccc1)(CC(=O)C(C(=O)OC)C(CC)c1cccc([N+](=O)[O-])c1)OCOc1ccc(-c2ccccc2)cc1- InChIKey
NQHOCUSTYHHGRC-UHFFFAOYSA-N- Molecular formula
- C39H43NO7
- Average molar mass
- 637.8 g/mol
Names & identifiers
- Preferred name
- 4-Carbomethoxy-3-(3-nitrophenyl)-7-(2-phenylethyl)-7-[(4-phenylphenoxy)methoxy]decan-5-one
- IUPAC
- methyl 2-[1-(3-nitrophenyl)propyl]-3-oxo-5-(2-phenylethyl)-5-[(4-phenylphenoxy)methoxy]octanoate
Names & synonyms
SCHEMBL6904849NQHOCUSTYHHGRC-UHFFFAOYSA-N4-Carbomethoxy-3-(3-nitrophenyl)-7-(2-phenylethyl)-7-[(4-phenylphenoxy)methoxy]decan-5-one
Database identifiers
- PubChem CID
- 21183125
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 947
Related reactions
3 records
Linked notes
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