2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-[1-(3-oxidanyl-1-adamantyl)propoxycarbonyl]octanoic acid

Systemtic Name: 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-[1-(3-oxidanyl-1-adamantyl)propoxycarbonyl]octanoic acid Openeye Name: 4-tert-butoxycarbonyl-6-[1-(3-hydroxy-1-adamantyl)propoxycarbonyl]-2-methyl-octanoic acid CAS Name: 6-[1-(3-hydroxy-1-adamantyl)propoxy-oxomethyl]-2-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]octanoic acid IUPAC Name: 6-[1-(3-hydroxy-1-adamantyl)propoxycarbonyl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid Traditional Name: 4-tert-butoxycarbonyl-6-[1-(3-hydroxy-1-adamantyl)propoxycarbonyl]-2-methyl-caprylic acid Formula: C28H46O7 MolecularWeight: 494.66064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C(=O)O)C(=O)OC(C)(C)C)C(=O)OC(CC)C12CC3CC(C1)CC(C3)(C2)O

Isomeric SMILES

CCC(CC(CC(C)C(=O)O)C(=O)OC(C)(C)C)C(=O)OC(CC)C12CC3CC(C1)CC(C3)(C2)O

InChI

InChI=1S/C28H46O7/c1-7-20(11-21(9-17(3)23(29)30)25(32)35-26(4,5)6)24(31)34-22(8-2)27-12-18-10-19(13-27)15-28(33,14-18)16-27/h17-22,33H,7-16H2,1-6H3,(H,29,30)