Basic information
- Standard SMILES
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c3ccc(C#N)c4Cc3ccccc3C)ccc21- InChIKey
QKCJPKOMSRDTDL-JIPXPUAJSA-N- Molecular formula
- C29H27NO4
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.19400834
Names & identifiers
- Preferred name
- {(S)-6-[(R)-5-cyano-4-(2-methyl-benzyl)-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester
- IUPAC
- methyl 2-[(3S)-6-[[(1R)-5-cyano-4-[(2-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
Names & synonyms
SCHEMBL15348562QKCJPKOMSRDTDL-JIPXPUAJSA-N{(S)-6-[(R)-5-cyano-4-(2-methyl-benzyl)-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester
Database identifiers
- PubChem CID
- 86700780
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 760
Related reactions
1 records
Compound notes
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