2(R)-[3-(4-(pyridin-4-yl)phenyl]-1H-pyrrol-1-yl]succinic acid 4-benzyl ester hydrochloride

HCID 70097993

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

Related reactions

6 records

Compound notes

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