(Z)-N-(1-adamantyl)-4-(4-methylphenyl)-4-oxidanyl-2-oxidanylidene-but-3-enamide

Systemtic Name: (Z)-N-(1-adamantyl)-4-(4-methylphenyl)-4-oxidanyl-2-oxidanylidene-but-3-enamide Openeye Name: (Z)-N-(1-adamantyl)-4-hydroxy-2-oxo-4-(p-tolyl)but-3-enamide CAS Name: (Z)-N-(1-adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxo-3-butenamide IUPAC Name: (Z)-N-(1-adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide Traditional Name: (Z)-N-(1-adamantyl)-4-hydroxy-2-keto-4-(p-tolyl)but-3-enamide Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C/C(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)/O

InChI

InChI=1S/C21H25NO3/c1-13-2-4-17(5-3-13)18(23)9-19(24)20(25)22-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-5,9,14-16,23H,6-8,10-12H2,1H3,(H,22,25)/b18-9-