Basic information
- Standard SMILES
CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)OC(C)(C)C)cc1C#N- InChIKey
GOMPSSYVXOFOCU-UHFFFAOYSA-N- Molecular formula
- C28H32N2O4
- Average molar mass
- 460.6 g/mol
- Monoisotopic mass
- 460.23620751
Names & identifiers
- Preferred name
- tert-Butyl 2-(7-(3-cyano-4-isopropoxybenzyloxy)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate
- IUPAC
- tert-butyl 2-[6-[(3-cyano-4-propan-2-yloxyphenyl)methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetate
Names & synonyms
SCHEMBL2025004GOMPSSYVXOFOCU-UHFFFAOYSA-Ntert-Butyl 2-(7-(3-cyano-4-isopropoxybenzyloxy)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate
Database identifiers
- PubChem CID
- 67252091
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 753
Related reactions
13 records
Compound notes
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