(2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-[4-(oxan-2-yloxy)phenyl]pentanoate

Systemtic Name: (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-[4-(oxan-2-yloxy)phenyl]pentanoate Openeye Name: (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-(4-tetrahydropyran-2-yloxyphenyl)pentanoate CAS Name: 2-ethyl-2-methyl-4-[4-(2-oxanyloxy)phenyl]pentanoic acid (2-methyl-2-adamantyl) ester IUPAC Name: (2-methyl-2-adamantyl) 2-ethyl-2-methyl-4-[4-(oxan-2-yloxy)phenyl]pentanoate Traditional Name: 2-ethyl-2-methyl-4-(4-tetrahydropyran-2-yloxyphenyl)valeric acid (2-methyl-2-adamantyl) ester Formula: C30H44O4 MolecularWeight: 468.66796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)C1=CC=C(C=C1)OC2CCCCO2)C(=O)OC3(C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CCC(C)(CC(C)C1=CC=C(C=C1)OC2CCCCO2)C(=O)OC3(C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C30H44O4/c1-5-29(3,28(31)34-30(4)24-15-21-14-22(17-24)18-25(30)16-21)19-20(2)23-9-11-26(12-10-23)33-27-8-6-7-13-32-27/h9-12,20-22,24-25,27H,5-8,13-19H2,1-4H3