2-(1-adamantyl)-4-(1,3-benzodioxol-5-ylmethylidene)-1,3-oxazol-5-one

Systemtic Name: 2-(1-adamantyl)-4-(1,3-benzodioxol-5-ylmethylidene)-1,3-oxazol-5-one Openeye Name: 2-(1-adamantyl)-4-(1,3-benzodioxol-5-ylmethylene)oxazol-5-one CAS Name: 2-(1-adamantyl)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxazolone IUPAC Name: 2-(1-adamantyl)-4-(1,3-benzodioxol-5-ylmethylidene)-1,3-oxazol-5-one Traditional Name: 2-(1-adamantyl)-4-piperonylidene-2-oxazolin-5-one Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=CC5=CC6=C(C=C5)OCO6)C(=O)O4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=CC5=CC6=C(C=C5)OCO6)C(=O)O4

InChI

InChI=1S/C21H21NO4/c23-19-16(6-12-1-2-17-18(7-12)25-11-24-17)22-20(26-19)21-8-13-3-14(9-21)5-15(4-13)10-21/h1-2,6-7,13-15H,3-5,8-11H2