2-(1-adamantyl)propan-2-yl 2-ethyl-4-(4-hydroxyphenyl)-2-methyl-pentanoate

Systemtic Name: 2-(1-adamantyl)propan-2-yl 2-ethyl-4-(4-hydroxyphenyl)-2-methyl-pentanoate Openeye Name: [1-(1-adamantyl)-1-methyl-ethyl] 2-ethyl-4-(4-hydroxyphenyl)-2-methyl-pentanoate CAS Name: 2-ethyl-4-(4-hydroxyphenyl)-2-methylpentanoic acid 2-(1-adamantyl)propan-2-yl ester IUPAC Name: 2-(1-adamantyl)propan-2-yl 2-ethyl-4-(4-hydroxyphenyl)-2-methylpentanoate Traditional Name: 2-ethyl-4-(4-hydroxyphenyl)-2-methyl-valeric acid [1-(1-adamantyl)-1-methyl-ethyl] ester Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)C1=CC=C(C=C1)O)C(=O)OC(C)(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(C)(CC(C)C1=CC=C(C=C1)O)C(=O)OC(C)(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H40O3/c1-6-26(5,14-18(2)22-7-9-23(28)10-8-22)24(29)30-25(3,4)27-15-19-11-20(16-27)13-21(12-19)17-27/h7-10,18-21,28H,6,11-17H2,1-5H3