tert-Butyl 4-{4-[3-(3-Chlorophenoxy)propoxy]phenyl}-3-[4-(3-methoxypropyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate

HCID 68633862
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Basic information

Standard SMILES
COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(OCCCOc4cccc(Cl)c4)cc3)cc21
InChIKey
XJVYICBOSXYTJJ-UHFFFAOYSA-N
Molecular formula
C38H47ClN2O8
Average molar mass
695.2 g/mol
Monoisotopic mass
694.3020942

Names & identifiers

Preferred name
tert-Butyl 4-{4-[3-(3-Chlorophenoxy)propoxy]phenyl}-3-[4-(3-methoxypropyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate
IUPAC
tert-butyl 4-[4-[3-(3-chlorophenoxy)propoxy]phenyl]-3-[[4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]methoxy]piperidine-1-carboxylate

Names & synonyms

SCHEMBL3415361XJVYICBOSXYTJJ-UHFFFAOYSA-Ntert-Butyl 4-{4-[3-(3-Chlorophenoxy)propoxy]phenyl}-3-[4-(3-methoxypropyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate

Database identifiers

PubChem CID
68633862

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
96 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
16
Heavy atoms
49

Related reactions

3 records
New reaction record

Compound notes

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