(2-methyl-2-adamantyl) 2-ethyl-4-(4-hydroxyphenyl)-2-methyl-6-[4-(1-phenylmethoxyethoxy)phenyl]heptanoate

Systemtic Name: (2-methyl-2-adamantyl) 2-ethyl-4-(4-hydroxyphenyl)-2-methyl-6-[4-(1-phenylmethoxyethoxy)phenyl]heptanoate Openeye Name: (2-methyl-2-adamantyl) 6-[4-(1-benzyloxyethoxy)phenyl]-2-ethyl-4-(4-hydroxyphenyl)-2-methyl-heptanoate CAS Name: 2-ethyl-4-(4-hydroxyphenyl)-2-methyl-6-[4-(1-phenylmethoxyethoxy)phenyl]heptanoic acid (2-methyl-2-adamantyl) ester IUPAC Name: (2-methyl-2-adamantyl) 2-ethyl-4-(4-hydroxyphenyl)-2-methyl-6-[4-(1-phenylmethoxyethoxy)phenyl]heptanoate Traditional Name: 6-[4-(1-benzoxyethoxy)phenyl]-2-ethyl-4-(4-hydroxyphenyl)-2-methyl-enanthic acid (2-methyl-2-adamantyl) ester Formula: C42H54O5 MolecularWeight: 638.87516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(CC(C)C1=CC=C(C=C1)OC(C)OCC2=CC=CC=C2)C3=CC=C(C=C3)O)C(=O)OC4(C5CC6CC(C5)CC4C6)C

Isomeric SMILES

CCC(C)(CC(CC(C)C1=CC=C(C=C1)OC(C)OCC2=CC=CC=C2)C3=CC=C(C=C3)O)C(=O)OC4(C5CC6CC(C5)CC4C6)C

InChI

InChI=1S/C42H54O5/c1-6-41(4,40(44)47-42(5)36-22-31-21-32(24-36)25-37(42)23-31)26-35(34-12-16-38(43)17-13-34)20-28(2)33-14-18-39(19-15-33)46-29(3)45-27-30-10-8-7-9-11-30/h7-19,28-29,31-32,35-37,43H,6,20-27H2,1-5H3