2,2-dimethyl-4-naphthalen-2-yl-6-[2-(3-oxidanyl-1-adamantyl)propan-2-yloxycarbonyl]octanoic acid

Systemtic Name: 2,2-dimethyl-4-naphthalen-2-yl-6-[2-(3-oxidanyl-1-adamantyl)propan-2-yloxycarbonyl]octanoic acid Openeye Name: 6-[1-(3-hydroxy-1-adamantyl)-1-methyl-ethoxy]carbonyl-2,2-dimethyl-4-(2-naphthyl)octanoic acid CAS Name: 6-[2-(3-hydroxy-1-adamantyl)propan-2-yloxy-oxomethyl]-2,2-dimethyl-4-(2-naphthalenyl)octanoic acid IUPAC Name: 6-[2-(3-hydroxy-1-adamantyl)propan-2-yloxycarbonyl]-2,2-dimethyl-4-naphthalen-2-yloctanoic acid Traditional Name: 6-[1-(3-hydroxy-1-adamantyl)-1-methyl-ethoxy]carbonyl-2,2-dimethyl-4-(2-naphthyl)caprylic acid Formula: C34H46O5 MolecularWeight: 534.72604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)(C)C(=O)O)C1=CC2=CC=CC=C2C=C1)C(=O)OC(C)(C)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CCC(CC(CC(C)(C)C(=O)O)C1=CC2=CC=CC=C2C=C1)C(=O)OC(C)(C)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C34H46O5/c1-6-24(29(35)39-32(4,5)33-16-22-13-23(17-33)19-34(38,18-22)21-33)14-28(20-31(2,3)30(36)37)27-12-11-25-9-7-8-10-26(25)15-27/h7-12,15,22-24,28,38H,6,13-14,16-21H2,1-5H3,(H,36,37)