Basic information
- Standard SMILES
COc1ccc2[nH]c(C)c(CC(=O)Nc3cc(/C=C/C(=O)OC(C)(C)C)ccc3C(=O)O)c2c1- InChIKey
WPNDNXATAOOKRO-YRNVUSSQSA-N- Molecular formula
- C26H28N2O6
- Average molar mass
- 464.5 g/mol
Names & identifiers
- Preferred name
- 4-[(1E)-3-tert-butoxy-3-oxoprop-1-enyl]-2-{[(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino}benzoic acid
- IUPAC
- 2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]benzoic acid
Names & synonyms
SCHEMBL5208721WPNDNXATAOOKRO-YRNVUSSQSA-N4-[(1E)-3-tert-butoxy-3-oxoprop-1-enyl]-2-{[(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino}benzoic acid
Database identifiers
- PubChem CID
- 10183282
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 776
Related reactions
1 records
Compound notes
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