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

HCID 57762529
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Basic information

Standard SMILES
COC(=O)[C@H](C/C=C/c1ccc(C2(OC)CCOCC2)cc1)NC(=O)c1c(Cl)cccc1Cl
InChIKey
UWUJUSRCKOUCMF-GUWAZMKPSA-N
Molecular formula
C25H27Cl2NO5
Average molar mass
492.4 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL1121107UWUJUSRCKOUCMF-GUWAZMKPSA-N(S,E)-2-(2,6-dichlorobenzamido)-5-[4-(4-methoxytetrahydropyran-4-yl)-phenyl]pent-4-enoic acid methyl ester

Database identifiers

PubChem CID
57762529

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
33

Related reactions

8 records
New reaction record

Linked notes

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