Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(=O)OCCOc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(C)c1- InChIKey
XQYGWGCLOLEVLH-UHFFFAOYSA-N- Molecular formula
- C30H31NO7
- Average molar mass
- 517.6 g/mol
Names & identifiers
- Preferred name
- 2-[4-(2-Acetoxy-ethoxy)-3-(2-m-tolyl-ethoxy)-benzoylamino]-indane-2-carboxylic acid
- IUPAC
- 2-[[4-(2-acetyloxyethoxy)-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
Names & synonyms
SCHEMBL1560420XQYGWGCLOLEVLH-UHFFFAOYSA-N2-[4-(2-Acetoxy-ethoxy)-3-(2-m-tolyl-ethoxy)-benzoylamino]-indane-2-carboxylic acid
Database identifiers
- PubChem CID
- 67076331
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 802
Related reactions
8 records
Compound notes
Loading…