Basic information
- Standard SMILES
COC(=O)C1CN(Cc2ccc(C(C)=CC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)C1- InChIKey
IYPORVMUPFHPTE-UHFFFAOYSA-N- Molecular formula
- C25H29NO6
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- Methyl-1-(4-(4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-en-2-yl)benzyl)azetidine-3-carboxylate
- IUPAC
- methyl 1-[[4-[4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-en-2-yl]phenyl]methyl]azetidine-3-carboxylate
Names & synonyms
SCHEMBL177565IYPORVMUPFHPTE-UHFFFAOYSA-NMethyl-1-(4-(4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-en-2-yl)benzyl)azetidine-3-carboxylate
Database identifiers
- PubChem CID
- 66615083
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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