(2E)-N-(5-chloranyl-2-methyl-phenyl)-2-[(4-octoxyphenyl)methylidene]-3-oxidanylidene-butanamide

Systemtic Name: (2E)-N-(5-chloranyl-2-methyl-phenyl)-2-[(4-octoxyphenyl)methylidene]-3-oxidanylidene-butanamide Openeye Name: (2E)-N-(5-chloro-2-methyl-phenyl)-2-[(4-octoxyphenyl)methylene]-3-oxo-butanamide CAS Name: (2E)-N-(5-chloro-2-methylphenyl)-2-[(4-octoxyphenyl)methylidene]-3-oxobutanamide IUPAC Name: (2E)-N-(5-chloro-2-methylphenyl)-2-[(4-octoxyphenyl)methylidene]-3-oxobutanamide Traditional Name: (E)-2-acetyl-N-(5-chloro-2-methyl-phenyl)-3-(4-octoxyphenyl)acrylamide Formula: C26H32ClNO3 MolecularWeight: 441.99018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C(C(=O)C)C(=O)NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C(\C(=O)C)/C(=O)NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C26H32ClNO3/c1-4-5-6-7-8-9-16-31-23-14-11-21(12-15-23)17-24(20(3)29)26(30)28-25-18-22(27)13-10-19(25)2/h10-15,17-18H,4-9,16H2,1-3H3,(H,28,30)/b24-17+