1-[3-(1-adamantyl)-4-methoxy-phenyl]prop-2-yn-1-one

Systemtic Name: 1-[3-(1-adamantyl)-4-methoxy-phenyl]prop-2-yn-1-one Openeye Name: 1-[3-(1-adamantyl)-4-methoxy-phenyl]prop-2-yn-1-one CAS Name: 1-[3-(1-adamantyl)-4-methoxyphenyl]-2-propyn-1-one IUPAC Name: 1-[3-(1-adamantyl)-4-methoxyphenyl]prop-2-yn-1-one Traditional Name: 1-[3-(1-adamantyl)-4-methoxy-phenyl]prop-2-yn-1-one Formula: C20H22O2 MolecularWeight: 294.38748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C#C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C#C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H22O2/c1-3-18(21)16-4-5-19(22-2)17(9-16)20-10-13-6-14(11-20)8-15(7-13)12-20/h1,4-5,9,13-15H,6-8,10-12H2,2H3