Methyl (E)-11-[2-(3-pyridyl)ethylidene]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate

HCID 10247741
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Basic information

Standard SMILES
COC(=O)c1ccc2c(c1)/C(=C/Cc1cccnc1)c1ccccc1CO2
InChIKey
DFUFRCGRWBHURH-KEBDBYFISA-N
Molecular formula
C23H19NO3
Average molar mass
357.4 g/mol

Names & identifiers

Preferred name
Methyl (E)-11-[2-(3-pyridyl)ethylidene]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate
IUPAC
methyl (11E)-11-(2-pyridin-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate

Names & synonyms

DFUFRCGRWBHURH-KEBDBYFISA-NMethyl (E)-11-[2-(3-pyridyl)ethylidene]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate

Database identifiers

PubChem CID
10247741

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
48.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
27

Related reactions

4 records
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Compound notes

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