[2-(1-adamantyl)-4-(2-phenylethynoxy)butyl] ethanoate

Systemtic Name: [2-(1-adamantyl)-4-(2-phenylethynoxy)butyl] ethanoate Openeye Name: [2-(1-adamantyl)-4-(2-phenylethynoxy)butyl] acetate CAS Name: acetic acid [2-(1-adamantyl)-4-(2-phenylethynoxy)butyl] ester IUPAC Name: [2-(1-adamantyl)-4-(2-phenylethynoxy)butyl] acetate Traditional Name: acetic acid [2-(1-adamantyl)-4-(2-phenylethynoxy)butyl] ester Formula: C24H30O3 MolecularWeight: 366.4932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCOC#CC1=CC=CC=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)OCC(CCOC#CC1=CC=CC=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H30O3/c1-18(25)27-17-23(8-10-26-9-7-19-5-3-2-4-6-19)24-14-20-11-21(15-24)13-22(12-20)16-24/h2-6,20-23H,8,10-17H2,1H3