4-[7-(1-adamantyl)-6-[(4-fluorophenyl)methoxy]naphthalen-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-6-[(4-fluorophenyl)methoxy]naphthalen-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-[(4-fluorophenyl)methoxy]-2-naphthyl]-2-hydroxy-benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-[(4-fluorophenyl)methoxy]-2-naphthalenyl]-2-hydroxybenzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-[(4-fluorophenyl)methoxy]naphthalen-2-yl]-2-hydroxybenzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-(4-fluorobenzyl)oxy-2-naphthyl]-2-hydroxy-benzoic acid Formula: C34H31FO4 MolecularWeight: 522.605943

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC(=C(C=C6)C(=O)O)O)OCC7=CC=C(C=C7)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC(=C(C=C6)C(=O)O)O)OCC7=CC=C(C=C7)F

InChI

InChI=1S/C34H31FO4/c35-28-6-1-20(2-7-28)19-39-32-15-26-4-3-24(25-5-8-29(33(37)38)31(36)14-25)12-27(26)13-30(32)34-16-21-9-22(17-34)11-23(10-21)18-34/h1-8,12-15,21-23,36H,9-11,16-19H2,(H,37,38)