Basic information
- Standard SMILES
CCOc1cccc(-c2ccc3c(c2)NC(=O)C3=Cc2[nH]cc(CCC(=O)O)c2C)c1- InChIKey
MURRDGGLKICUGC-UHFFFAOYSA-N- Molecular formula
- C25H24N2O4
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.17360725
Names & identifiers
- Preferred name
- 3-{5-[6-(3-Ethoxy-phenyl)-2-oxo-1,2-dihydroindol-3-ylidenemethyl]-4-methyl-1H-pyrrol-3-yl}-propionic acid
- IUPAC
- 3-[5-[[6-(3-ethoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Names & synonyms
SCHEMBL4416887MURRDGGLKICUGC-UHFFFAOYSA-N3-{5-[6-(3-Ethoxy-phenyl)-2-oxo-1,2-dihydroindol-3-ylidenemethyl]-4-methyl-1H-pyrrol-3-yl}-propionic acid
Database identifiers
- PubChem CID
- 54092270
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 693
Related reactions
4 records
Compound notes
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