(4E)-2-(4-tert-butylphenyl)-4-[(2-heptoxyphenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4E)-2-(4-tert-butylphenyl)-4-[(2-heptoxyphenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-2-(4-tert-butylphenyl)-4-[(2-heptoxyphenyl)methylene]oxazol-5-one CAS Name: (4E)-2-(4-tert-butylphenyl)-4-[(2-heptoxyphenyl)methylidene]-5-oxazolone IUPAC Name: (4E)-2-(4-tert-butylphenyl)-4-[(2-heptoxyphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-2-(4-tert-butylphenyl)-4-(2-heptoxybenzylidene)-2-oxazolin-5-one Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1C=C2C(=O)OC(=N2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H33NO3/c1-5-6-7-8-11-18-30-24-13-10-9-12-21(24)19-23-26(29)31-25(28-23)20-14-16-22(17-15-20)27(2,3)4/h9-10,12-17,19H,5-8,11,18H2,1-4H3/b23-19+