methyl 4-((3-formyl-1H-indol-1-yl)methyl)benzoate
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Basic information
- CAS
592546-73-1- Standard SMILES
COC(=O)c1ccc(Cn2cc(C=O)c3ccccc32)cc1- InChIKey
LVUBHSKGHORVSZ-UHFFFAOYSA-N- Molecular formula
- C18H15NO3
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.10519334
Names & identifiers
- Preferred name
- methyl 4-((3-formyl-1H-indol-1-yl)methyl)benzoate
- IUPAC
- methyl 4-[(3-formylindol-1-yl)methyl]benzoate
- English name
- Benzoic acid, 4-[(3-formyl-1H-indol-1-yl)methyl]-, methyl ester (9CI)
- Molecular formula
- C18H15NO3
- Molecular weight
- 293.32
Names & synonyms
SCHEMBL3145711LVUBHSKGHORVSZ-UHFFFAOYSA-NAKOS000294849methyl 4-((3-formyl-1H-indol-1-yl)methyl)benzoateBenzoic acid, 4-[(3-formyl-1H-indol-1-yl)methyl]-, methyl esterBenzoic acid, 4-[(3-formyl-1H-indol-1-yl)methyl]-, methyl ester (9CI)
Database identifiers
- CAS
592546-73-1- PubChem CID
- 5082571
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
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Related reactions
2 records
Compound notes
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