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Ethyl 2-methoxy-3-[4-methoxy-3-[N-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]acrylate

HCID 69758375
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(=Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)OC
InChIKey
GUAYPBXNJFTATM-UHFFFAOYSA-N
Molecular formula
C22H22F3NO5
Average molar mass
437.4 g/mol

Names & identifiers

Preferred name
Ethyl 2-methoxy-3-[4-methoxy-3-[N-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]acrylate
IUPAC
ethyl 2-methoxy-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]prop-2-enoate

Names & synonyms

Ethyl 2-methoxy-3-[4-methoxy-3-[N-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]acrylateSCHEMBL6376145

Database identifiers

PubChem CID
69758375

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
31
Formal charge
0
Complexity
629

Related reactions

4 records
New reaction record
HRID 810360 reaction equation
HRID 810360As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1634516 reaction equation
HRID 1634516As productuspto-grants-2003_01
HRID 1634517 reaction equation
HRID 1634517As reactantuspto-grants-2003_01
HRID 2150100 reaction equation
HRID 2150100As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes