2-azanylidene-5-(5-chloranyl-2-oxidanyl-phenyl)carbonyl-N-octyl-pyran-3-carboxamide

Systemtic Name: 2-azanylidene-5-(5-chloranyl-2-oxidanyl-phenyl)carbonyl-N-octyl-pyran-3-carboxamide Openeye Name: 5-(5-chloro-2-hydroxy-benzoyl)-2-imino-N-octyl-pyran-3-carboxamide CAS Name: 5-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-2-imino-N-octyl-3-pyrancarboxamide IUPAC Name: 5-(5-chloro-2-hydroxybenzoyl)-2-imino-N-octylpyran-3-carboxamide Traditional Name: 5-(5-chloro-2-hydroxy-benzoyl)-2-imino-N-octyl-pyran-3-carboxamide Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=CC(=COC1=N)C(=O)C2=C(C=CC(=C2)Cl)O

Isomeric SMILES

CCCCCCCCNC(=O)C1=CC(=COC1=N)C(=O)C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C21H25ClN2O4/c1-2-3-4-5-6-7-10-24-21(27)17-11-14(13-28-20(17)23)19(26)16-12-15(22)8-9-18(16)25/h8-9,11-13,23,25H,2-7,10H2,1H3,(H,24,27)