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- ChemComp-B0V: 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: B0V
NameName: 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide

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Chemical information

Composition
Formula: C12H17NO2 / Number of atoms: 32 / Formula weight: 207.269 / Formal charge: 0
Others

5q26

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B0V / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5Q26
History
Create componentJul 28, 2017
Initial releaseAug 8, 2018
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385COCC(=O)Nc1c(C)cc(C)cc1C
OpenEye OEToolkits 2.0.6Cc1cc(c(c(c1)C)NC(=O)COC)C

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SMILES CANONICAL

CACTVS 3.385COCC(=O)Nc1c(C)cc(C)cc1C
OpenEye OEToolkits 2.0.6Cc1cc(c(c(c1)C)NC(=O)COC)C

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InChI

InChI 1.03InChI=1S/C12H17NO2/c1-8-5-9(2)12(10(3)6-8)13-11(14)7-15-4/h5-6H,7H2,1-4H3,(H,13,14)

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InChIKey

InChI 1.03XZMRSYKEMFCZKR-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.62-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide

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PDB entries

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