Basic information
- Standard SMILES
COc1ccc(-c2cccc3c2CCC3=O)c(OCC2(COC(=O)NCc3ccccc3)CC2)c1OC- InChIKey
OIYRFUBQQXTYAV-UHFFFAOYSA-N- Molecular formula
- C30H31NO6
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- Benzyl-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-benzylcarbamate
Names & synonyms
SCHEMBL14737621OIYRFUBQQXTYAV-UHFFFAOYSA-NBenzyl-carbamic acid 1-[2,3-dimethoxy-6-(1-oxo-indan-4-yl)-phenoxymethyl]-cyclopropylmethyl ester
Database identifiers
- PubChem CID
- 54577166
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 778
Related reactions
1 records
Compound notes
Loading…