Methyl 3-({[3-(methoxycarbonyl)cyclohexyl]amino}carbonyl)-4-(3-{4-[(4-propoxybenzyl)oxy]phenyl}propoxy)benzoate
Basic information
- Standard SMILES
CCCOc1ccc(COc2ccc(CCCOc3ccc(C(=O)OC)cc3C(=O)NC3CCCC(C(=O)OC)C3)cc2)cc1- InChIKey
OSPBBNCQWDLHTA-UHFFFAOYSA-N- Molecular formula
- C36H43NO8
- Average molar mass
- 617.7 g/mol
- Monoisotopic mass
- 617.29886733
Names & identifiers
- Preferred name
- Methyl 3-({[3-(methoxycarbonyl)cyclohexyl]amino}carbonyl)-4-(3-{4-[(4-propoxybenzyl)oxy]phenyl}propoxy)benzoate
- IUPAC
- methyl 3-[(3-methoxycarbonylcyclohexyl)carbamoyl]-4-[3-[4-[(4-propoxyphenyl)methoxy]phenyl]propoxy]benzoate
Names & synonyms
SCHEMBL4522542OSPBBNCQWDLHTA-UHFFFAOYSA-NMethyl 3-({[3-(methoxycarbonyl)cyclohexyl]amino}carbonyl)-4-(3-{4-[(4-propoxybenzyl)oxy]phenyl}propoxy)benzoate
Database identifiers
- PubChem CID
- 57589079
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 897
Related reactions
2 records
Compound notes
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