Basic information
- Standard SMILES
COC(=O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)OC)cc1- InChIKey
OWCHLQYUTRTNRI-UHFFFAOYSA-N- Molecular formula
- C38H43NO5
- Average molar mass
- 593.7 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(((5-methoxy-5-oxopentyl)(2-((4-phenethylbenzyl)oxy)phenethyl)amino)methyl)benzoate
- IUPAC
- methyl 4-[[(5-methoxy-5-oxopentyl)-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoate
Names & synonyms
329773-33-3Methyl 4-(((5-methoxy-5-oxopentyl)(2-((4-phenethylbenzyl)oxy)phenethyl)amino)methyl)benzoateBenzoic acid,4-[[(5-methoxy-5-oxopentyl)[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]-, methyl estermethyl 4-[[(5-methoxy-5-oxopentyl)-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoateMethyl 4-[((5-methoxy-5-oxopentyl)[2-[(4-phenethylbenzyl)oxy]-phenethyl}amino)methyl]benzoateMethyl 4-[((5-methoxy-5-oxopentyl){2-[(4-phenethylbenzyl)oxy]-phenethyl}amino)methyl]benzoateMethyl 4-[((5-methoxy-5-oxopentyl){2-{(4-phenethylbenzyl)oxy]-phenethyl}amino)methyl]benzoateSCHEMBL2993035C38H43NO5OWCHLQYUTRTNRI-UHFFFAOYSA-NCS-M2051AKOS037650279
Show more names
CS-14560C12527Methyl4-(((5-methoxy-5-oxopentyl)(2-((4-phenethylbenzyl)oxy)phenethyl)amino)methyl)benzoatemethyl 4-[[(5-methoxy-5-oxo-pentyl)-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoate
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 797
Related reactions
4 records
Compound notes
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