1-[5-ethynyl-2-[1-(1-methoxyethoxy)ethyl]phenyl]adamantane

Systemtic Name: 1-[5-ethynyl-2-[1-(1-methoxyethoxy)ethyl]phenyl]adamantane Openeye Name: 1-[5-ethynyl-2-[1-(1-methoxyethoxy)ethyl]phenyl]adamantane CAS Name: 1-[5-ethynyl-2-[1-(1-methoxyethoxy)ethyl]phenyl]adamantane IUPAC Name: 1-[5-ethynyl-2-[1-(1-methoxyethoxy)ethyl]phenyl]adamantane Traditional Name: 1-[5-ethynyl-2-[1-(1-methoxyethoxy)ethyl]phenyl]adamantane Formula: C23H30O2 MolecularWeight: 338.4831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C#C)C23CC4CC(C2)CC(C4)C3)OC(C)OC

Isomeric SMILES

CC(C1=C(C=C(C=C1)C#C)C23CC4CC(C2)CC(C4)C3)OC(C)OC

InChI

InChI=1S/C23H30O2/c1-5-17-6-7-21(15(2)25-16(3)24-4)22(11-17)23-12-18-8-19(13-23)10-20(9-18)14-23/h1,6-7,11,15-16,18-20H,8-10,12-14H2,2-4H3