(4E)-2-(1-adamantyl)-4-(phenylmethylidene)-1,3-oxazol-5-one

Systemtic Name: (4E)-2-(1-adamantyl)-4-(phenylmethylidene)-1,3-oxazol-5-one Openeye Name: (4E)-2-(1-adamantyl)-4-benzylidene-oxazol-5-one CAS Name: (4E)-2-(1-adamantyl)-4-(phenylmethylene)-5-oxazolone IUPAC Name: (4E)-2-(1-adamantyl)-4-benzylidene-1,3-oxazol-5-one Traditional Name: (4E)-2-(1-adamantyl)-4-benzal-2-oxazolin-5-one Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=CC5=CC=CC=C5)C(=O)O4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=N/C(=C/C5=CC=CC=C5)/C(=O)O4

InChI

InChI=1S/C20H21NO2/c22-18-17(9-13-4-2-1-3-5-13)21-19(23-18)20-10-14-6-15(11-20)8-16(7-14)12-20/h1-5,9,14-16H,6-8,10-12H2/b17-9+