Methyl 4-{[{2-[(4'-chloro[1,1'-biphenyl]-4-yl)methoxy]phenethyl}(5-ethoxy-5-oxopentyl)amino]methyl}benzoate

HCID 22015030
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Basic information

Standard SMILES
CCOC(=O)CCCCN(CCc1ccccc1OCc1ccc(-c2ccc(Cl)cc2)cc1)Cc1ccc(C(=O)OC)cc1
InChIKey
VQIQNZDVRXVSKN-UHFFFAOYSA-N
Molecular formula
C37H40ClNO5
Average molar mass
614.2 g/mol

Names & identifiers

Preferred name
Methyl 4-{[{2-[(4'-chloro[1,1'-biphenyl]-4-yl)methoxy]phenethyl}(5-ethoxy-5-oxopentyl)amino]methyl}benzoate
IUPAC
methyl 4-[[2-[2-[[4-(4-chlorophenyl)phenyl]methoxy]phenyl]ethyl-(5-ethoxy-5-oxopentyl)amino]methyl]benzoate

Names & synonyms

SCHEMBL2997633VQIQNZDVRXVSKN-UHFFFAOYSA-NMethyl 4-{[{2-[(4'-chloro[1,1'-biphenyl]-4-yl)methoxy]phenethyl}(5-ethoxy-5-oxopentyl)amino]methyl}benzoate

Database identifiers

PubChem CID
22015030

Properties

Computed structural properties

XLogP
8.2
Topological polar surface area
65.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
18
Heavy atoms
44

Related reactions

4 records
New reaction record

Compound notes

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Methyl 4-{[{2-[(4'-chloro[1,1'-biphenyl]-4-yl)methoxy]phenethyl}(5-ethoxy-5-oxopentyl)amino]methyl}benzoate (HCID 22015030)｜Huagongshe