Basic information
- Standard SMILES
Cl.O=C(C[C@H](C(=O)O)n1ccc(-c2ccc(-c3ccncc3)cc2)c1)OCc1ccccc1- InChIKey
VCCPIKACUREFSM-GJFSDDNBSA-N- Molecular formula
- C26H23ClN2O4
- Average molar mass
- 462.9 g/mol
- Monoisotopic mass
- 462.1346349
Names & identifiers
- Preferred name
- 2(R)-[3-(4-(pyridin-4-yl)phenyl]-1H-pyrrol-1-yl]succinic acid 4-benzyl ester hydrochloride
- IUPAC
- (2R)-4-oxo-4-phenylmethoxy-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid;hydrochloride
Names & synonyms
2(R)-[3-(4-(pyridin-4-yl)phenyl]-1H-pyrrol-1-yl]succinic acid 4-benzyl ester hydrochloride2(R)-[3-[4-(Pyridin-4-yl)phenyl]-1H-pyrrol-1-yl]succinic Acid 4-Benzyl Ester HydrochlorideSCHEMBL7455276VCCPIKACUREFSM-GJFSDDNBSA-N2(R)-[3-[4-(pyridin-4-yl)phenyl]-1H-pyrrol-1-yl]succinic4-benzyl ester hydrochloride
Database identifiers
- PubChem CID
- 70097993
Properties
Computed structural properties
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 607
Related reactions
6 records
Compound notes
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