2-(9-Chloro-7-(3-cyano-4-isopropoxybenzyloxy)-8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acid
Basic information
- Standard SMILES
Cc1c(OCc2ccc(OC(C)C)c(C#N)c2)ccc2c1c(Cl)c1n2CCC1CC(=O)O- InChIKey
HAEAMGHQKYAHSN-UHFFFAOYSA-N- Molecular formula
- C25H25ClN2O4
- Average molar mass
- 452.9 g/mol
Names & identifiers
- Preferred name
- 2-(9-Chloro-7-(3-cyano-4-isopropoxybenzyloxy)-8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acid
- IUPAC
- 2-[4-chloro-6-[(3-cyano-4-propan-2-yloxyphenyl)methoxy]-5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
Names & synonyms
SCHEMBL2016253HAEAMGHQKYAHSN-UHFFFAOYSA-N2-(9-Chloro-7-(3-cyano-4-isopropoxybenzyloxy)-8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acid
Database identifiers
- PubChem CID
- 58329601
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 724
Related reactions
3 records
Compound notes
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