Basic information
- Standard SMILES
Cc1cc(C)c(/C=C2\C(=O)N(C(=O)OCC(O)CO)c3ccccc32)[nH]1- InChIKey
TYKDTNHANVJBAN-NVNXTCNLSA-N- Molecular formula
- C19H20N2O5
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.13722174
Names & identifiers
- Preferred name
- 3-[1-(3,5-dimethyl-1H-pyrrol-2-yl)-meth-(Z)-ylidene]-2-oxo-2,3-dihydro-indole-1-carboxylic acid 2,3-dihydroxy-propyl ester
- IUPAC
- 2,3-dihydroxypropyl (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate
Names & synonyms
SCHEMBL5878379TYKDTNHANVJBAN-NVNXTCNLSA-N3-[1-(3,5-dimethyl-1H-pyrrol-2-yl)-meth-(Z)-ylidene]-2-oxo-2,3-dihydro-indole-1-carboxylic acid 2,3-dihydroxy-propyl ester
Database identifiers
- PubChem CID
- 60111229
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 578
Related reactions
2 records
Compound notes
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