(E)-1-[2-(4-methylphenyl)-1-adamantyl]but-2-en-1-one

Systemtic Name: (E)-1-[2-(4-methylphenyl)-1-adamantyl]but-2-en-1-one Openeye Name: (E)-1-[2-(p-tolyl)-1-adamantyl]but-2-en-1-one CAS Name: (E)-1-[2-(4-methylphenyl)-1-adamantyl]-2-buten-1-one IUPAC Name: (E)-1-[2-(4-methylphenyl)-1-adamantyl]but-2-en-1-one Traditional Name: (E)-1-[2-(p-tolyl)-1-adamantyl]but-2-en-1-one Formula: C21H26O MolecularWeight: 294.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C12CC3CC(C1)CC(C3)C2C4=CC=C(C=C4)C

Isomeric SMILES

C/C=C/C(=O)C12CC3CC(C1)CC(C3)C2C4=CC=C(C=C4)C

InChI

InChI=1S/C21H26O/c1-3-4-19(22)21-12-15-9-16(13-21)11-18(10-15)20(21)17-7-5-14(2)6-8-17/h3-8,15-16,18,20H,9-13H2,1-2H3/b4-3+