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

Systemtic Name: (E)-2-methyl-1-(1-phenyl-2-adamantyl)but-2-en-1-one Openeye Name: (E)-2-methyl-1-(1-phenyl-2-adamantyl)but-2-en-1-one CAS Name: (E)-2-methyl-1-(1-phenyl-2-adamantyl)-2-buten-1-one IUPAC Name: (E)-2-methyl-1-(1-phenyl-2-adamantyl)but-2-en-1-one Traditional Name: (E)-2-methyl-1-(1-phenyl-2-adamantyl)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)C1C2CC3CC(C2)CC1(C3)C4=CC=CC=C4

Isomeric SMILES

C/C=C(\C)/C(=O)C1C2CC3CC(C2)CC1(C3)C4=CC=CC=C4

InChI

InChI=1S/C21H26O/c1-3-14(2)20(22)19-17-10-15-9-16(11-17)13-21(19,12-15)18-7-5-4-6-8-18/h3-8,15-17,19H,9-13H2,1-2H3/b14-3+