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

Systemtic Name: (4Z)-2-(1-adamantyl)-4-[(5-bromanyl-2-methoxy-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-2-(1-adamantyl)-4-[(5-bromo-2-methoxy-phenyl)methylene]oxazol-5-one CAS Name: (4Z)-2-(1-adamantyl)-4-[(5-bromo-2-methoxyphenyl)methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(1-adamantyl)-4-[(5-bromo-2-methoxyphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-2-(1-adamantyl)-4-(5-bromo-2-methoxy-benzylidene)-2-oxazolin-5-one Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C2C(=O)OC(=N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)OC(=N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H22BrNO3/c1-25-18-3-2-16(22)7-15(18)8-17-19(24)26-20(23-17)21-9-12-4-13(10-21)6-14(5-12)11-21/h2-3,7-8,12-14H,4-6,9-11H2,1H3/b17-8-