(4Z)-2-(1-adamantyl)-4-[(4-butoxy-3-methoxy-phenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4Z)-2-(1-adamantyl)-4-[(4-butoxy-3-methoxy-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-2-(1-adamantyl)-4-[(4-butoxy-3-methoxy-phenyl)methylene]oxazol-5-one CAS Name: (4Z)-2-(1-adamantyl)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(1-adamantyl)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-2-(1-adamantyl)-4-(4-butoxy-3-methoxy-benzylidene)-2-oxazolin-5-one Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)OC(=N2)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C25H31NO4/c1-3-4-7-29-21-6-5-16(12-22(21)28-2)11-20-23(27)30-24(26-20)25-13-17-8-18(14-25)10-19(9-17)15-25/h5-6,11-12,17-19H,3-4,7-10,13-15H2,1-2H3/b20-11-