(r)-2-[4-(6-Chloro-benzo[1,3]dioxol-5-ylmethoxy)phenoxymethyl]pyrrolidine-1-carboxylic acid tert-butyl ester

HCID 68998670
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(OCc2cc3c(cc2Cl)OCO3)cc1
InChIKey
DCKFNORXCUPIOJ-QGZVFWFLSA-N
Molecular formula
C24H28ClNO6
Average molar mass
461.9 g/mol
Monoisotopic mass
461.1605153

Names & identifiers

Preferred name
(r)-2-[4-(6-Chloro-benzo[1,3]dioxol-5-ylmethoxy)phenoxymethyl]pyrrolidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl (2R)-2-[[4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL4312742DCKFNORXCUPIOJ-QGZVFWFLSA-N(r)-2-[4-(6-chloro-benzo[1,3]dioxol-5-ylmethoxy)phenoxymethyl]pyrrolidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
68998670

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
66.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
32

Related reactions

2 records
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Compound notes

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