Basic information
- Standard SMILES
COC(=O)CCCCN(CCc1ccccc1OCc1ccc(/C=C/c2ccccc2)cc1)Cc1ccc(C(=O)OC)cc1- InChIKey
QXMGVINJWKNKGR-FOCLMDBBSA-N- Molecular formula
- C38H41NO5
- Average molar mass
- 591.7 g/mol
Names & identifiers
- Preferred name
- Methyl 4-([(5-methoxy-5-oxopentyl)[2-({4-[(E)-2-phenylethenyl]benzyl}-oxy)phenethyl]amino}methyl)benzoate
- IUPAC
- methyl 4-[[(5-methoxy-5-oxopentyl)-[2-[2-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoate
Names & synonyms
Methyl 4-([(5-methoxy-5-oxopentyl)[2-({4-[(E)-2-phenylethenyl]benzyl}-oxy)phenethyl]amino}methyl)benzoatemethyl 4-({(5-methoxy-5-oxopentyl)[2-({4-[(E)-2-phenyl-ethenyl]benzyl}oxy)phenethyl]amino)methyl)benzoatemethyl 4-({(5-methoxy-5-oxopentyl)[2-({4-[(E)-2-phenyl-ethenyl]benzyl}oxy)phenethyl]amino}methyl)benzoateMethyl 4-({(5-methoxy-5-oxopentyl)[2-({4-[(E)-2-phenylethenyl]benzyl}-oxy)phenethyl]amino}methyl)benzoateSCHEMBL2996712QXMGVINJWKNKGR-FOCLMDBBSA-N
Database identifiers
- PubChem CID
- 22015012
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 838
Related reactions
6 records
Compound notes
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