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Compound
Methyl 3-[2-[3-[benzoyl(3,3-diphenylpropyl)amino]propyl]phenoxy]prop-2-enoate
HCID
91134776
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Basic information
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Properties
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Basic information
Standard SMILES
COC(=O)C=COc1ccccc1CCCN(CCC(c1ccccc1)c1ccccc1)C(=O)c1ccccc1
InChIKey
ZOMWNWRHEPDUQR-UHFFFAOYSA-N
Molecular formula
C35H35NO4
Average molar mass
533.7 g/mol
Names & identifiers
Preferred name
Methyl 3-[2-[3-[benzoyl(3,3-diphenylpropyl)amino]propyl]phenoxy]prop-2-enoate
IUPAC
methyl 3-[2-[3-[benzoyl(3,3-diphenylpropyl)amino]propyl]phenoxy]prop-2-enoate
Database identifiers
PubChem CID
91134776
Properties
Computed structural properties
XLogP
7.4
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
14
Heavy atoms
40
Formal charge
0
Complexity
745
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Related reactions
1 records
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As solvent
HRID
171256
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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