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Basic information
- Standard SMILES
CCNC(=O)OCC1(COc2c(-c3cccc4c3CCC4=O)ccc(OC)c2OC)CC1- InChIKey
HIKMFLKOLPOFPS-UHFFFAOYSA-N- Molecular formula
- C25H29NO6
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.19948764
Names & identifiers
- Preferred name
- Ethyl-carbamic acid 1-[2,3-dimethoxy-6-(1-oxo-indan-4-yl)-phenoxymethyl]-cyclopropylmethyl ester
- IUPAC
- [1-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]cyclopropyl]methyl N-ethylcarbamate
Names & synonyms
SCHEMBL14736856HIKMFLKOLPOFPS-UHFFFAOYSA-NEthyl-carbamic acid 1-[2,3-dimethoxy-6-(1-oxo-indan-4-yl)-phenoxymethyl]-cyclopropylmethyl ester
Database identifiers
- PubChem CID
- 71279321
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 665
Related reactions
3 records
Compound notes
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