[4-[3-(4-methoxy-3,5-dimethyl-phenyl)-1-adamantyl]-2,6-dimethyl-phenyl] ethanoate

Systemtic Name: [4-[3-(4-methoxy-3,5-dimethyl-phenyl)-1-adamantyl]-2,6-dimethyl-phenyl] ethanoate Openeye Name: [4-[3-(4-methoxy-3,5-dimethyl-phenyl)-1-adamantyl]-2,6-dimethyl-phenyl] acetate CAS Name: acetic acid [4-[3-(4-methoxy-3,5-dimethylphenyl)-1-adamantyl]-2,6-dimethylphenyl] ester IUPAC Name: [4-[3-(4-methoxy-3,5-dimethylphenyl)-1-adamantyl]-2,6-dimethylphenyl] acetate Traditional Name: acetic acid [4-[3-(4-methoxy-3,5-dimethyl-phenyl)-1-adamantyl]-2,6-dimethyl-phenyl] ester Formula: C29H36O3 MolecularWeight: 432.59434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C(=C5)C)OC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C(=C5)C)OC(=O)C)C

InChI

InChI=1S/C29H36O3/c1-17-7-24(8-18(2)26(17)31-6)28-12-22-11-23(13-28)15-29(14-22,16-28)25-9-19(3)27(20(4)10-25)32-21(5)30/h7-10,22-23H,11-16H2,1-6H3