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

Systemtic Name: 2,2-dimethyl-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]-2,2-dimethyl-octanoic acid CAS Name: 6-[1-(3-hydroxy-1-adamantyl)propoxy-oxomethyl]-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]octanoic acid IUPAC Name: 6-[1-(3-hydroxy-1-adamantyl)propoxycarbonyl]-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid Traditional Name: 4-tert-butoxycarbonyl-6-[1-(3-hydroxy-1-adamantyl)propoxycarbonyl]-2,2-dimethyl-caprylic acid Formula: C29H48O7 MolecularWeight: 508.68722

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H48O7/c1-8-20(11-21(16-27(6,7)25(32)33)24(31)36-26(3,4)5)23(30)35-22(9-2)28-12-18-10-19(13-28)15-29(34,14-18)17-28/h18-22,34H,8-17H2,1-7H3,(H,32,33)