5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid bis-(2-phenoxy-ethyl) ester hydrochloride salt

HCID 86754129
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Basic information

Standard SMILES
CC(Cc1ccc2c(c1)OC(C(=O)OCCOc1ccccc1)(C(=O)OCCOc1ccccc1)O2)NCC(O)c1cccc(Cl)c1.Cl
InChIKey
BTGGYPNYSLHINI-UHFFFAOYSA-N
Molecular formula
C36H37Cl2NO9
Average molar mass
698.6 g/mol

Names & identifiers

Preferred name
5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid bis-(2-phenoxy-ethyl) ester hydrochloride salt
IUPAC
bis(2-phenoxyethyl) 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate;hydrochloride

Names & synonyms

BTGGYPNYSLHINI-UHFFFAOYSA-N5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid bis-(2-phenoxy-ethyl) ester hydrochloride salt

Database identifiers

PubChem CID
86754129

Properties

Computed structural properties

Topological polar surface area
122 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
18
Heavy atoms
48

Related reactions

1 records
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Compound notes

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