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Methyl 3-[2-[3-[benzoyl(3,3-diphenylpropyl)amino]propyl]phenoxy]prop-2-enoate

HCID 91134776
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

1 records
New reaction record
HRID 171256 reaction equation
HRID 171256As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes