(E)-2-(2,6-dichlorobenzamido)-5-[4-(4-ethoxytetrahydropyran-4-yl)-phenyl]pent-4-enoic acid methyl ester

HCID 57762524
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Basic information

Standard SMILES
CCOC1(c2ccc(/C=C/CC(NC(=O)c3c(Cl)cccc3Cl)C(=O)OC)cc2)CCOCC1
InChIKey
OUYVKZRORSLXLF-GQCTYLIASA-N
Molecular formula
C26H29Cl2NO5
Average molar mass
506.4 g/mol
Monoisotopic mass
505.1422784

Names & identifiers

Preferred name
(E)-2-(2,6-dichlorobenzamido)-5-[4-(4-ethoxytetrahydropyran-4-yl)-phenyl]pent-4-enoic acid methyl ester
IUPAC
methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(4-ethoxyoxan-4-yl)phenyl]pent-4-enoate

Names & synonyms

SCHEMBL1121213OUYVKZRORSLXLF-GQCTYLIASA-N(E)-2-(2,6-dichlorobenzamido)-5-[4-(4-ethoxytetrahydropyran-4-yl)-phenyl]pent-4-enoic acid methyl ester

Database identifiers

PubChem CID
57762524

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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