(4E)-2-(5-chloranyl-2-methoxy-phenyl)-4-[(4-octoxyphenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4E)-2-(5-chloranyl-2-methoxy-phenyl)-4-[(4-octoxyphenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-2-(5-chloro-2-methoxy-phenyl)-4-[(4-octoxyphenyl)methylene]oxazol-5-one CAS Name: (4E)-2-(5-chloro-2-methoxyphenyl)-4-[(4-octoxyphenyl)methylidene]-5-oxazolone IUPAC Name: (4E)-2-(5-chloro-2-methoxyphenyl)-4-[(4-octoxyphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-2-(5-chloro-2-methoxy-phenyl)-4-(4-octoxybenzylidene)-2-oxazolin-5-one Formula: C25H28ClNO4 MolecularWeight: 441.94712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C25H28ClNO4/c1-3-4-5-6-7-8-15-30-20-12-9-18(10-13-20)16-22-25(28)31-24(27-22)21-17-19(26)11-14-23(21)29-2/h9-14,16-17H,3-8,15H2,1-2H3/b22-16+