2-Methyl-2-[2-(4-nitro-phenyl)-1-propyl-1H-indole-6-yloxy]-propanoic acid ethylester
Basic information
- Standard SMILES
CCCn1c(-c2ccc([N+](=O)[O-])cc2)cc2ccc(OC(C)(C)C(=O)OCC)cc21- InChIKey
AULXCCTZPJQGCB-UHFFFAOYSA-N- Molecular formula
- C23H26N2O5
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.18417193
Names & identifiers
- Preferred name
- 2-Methyl-2-[2-(4-nitro-phenyl)-1-propyl-1H-indole-6-yloxy]-propanoic acid ethylester
- IUPAC
- ethyl 2-methyl-2-[2-(4-nitrophenyl)-1-propylindol-6-yl]oxypropanoate
Names & synonyms
SCHEMBL11259004AULXCCTZPJQGCB-UHFFFAOYSA-N2-Methyl-2-[2-(4-nitro-phenyl)-1-propyl-1H-indole-6-yloxy]-propanoic acid ethylester
Database identifiers
- PubChem CID
- 53662763
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 597
Related reactions
4 records
Compound notes
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