(E)-1-(1-adamantyl)-2-methyl-3-phenyl-but-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-2-methyl-3-phenyl-but-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-2-methyl-3-phenyl-but-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-2-methyl-3-phenyl-2-buten-1-one IUPAC Name: (E)-1-(1-adamantyl)-2-methyl-3-phenylbut-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-2-methyl-3-phenyl-but-2-en-1-one Formula: C21H26O MolecularWeight: 294.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)C(=O)C12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

Isomeric SMILES

C/C(=C(/C)\C(=O)C12CC3CC(C1)CC(C3)C2)/C4=CC=CC=C4

InChI

InChI=1S/C21H26O/c1-14(19-6-4-3-5-7-19)15(2)20(22)21-11-16-8-17(12-21)10-18(9-16)13-21/h3-7,16-18H,8-13H2,1-2H3/b15-14+