4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-fluoranyl-benzoic acid

Systemtic Name: 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-fluoranyl-benzoic acid Openeye Name: 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-fluoro-benzoic acid CAS Name: 4-[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethoxy]-3-fluorobenzoic acid IUPAC Name: 4-[3-(1-adamantyl)-4-methoxybenzoyl]oxy-3-fluorobenzoic acid Traditional Name: 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-fluoro-benzoic acid Formula: C25H25FO5 MolecularWeight: 424.461403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)O)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)O)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H25FO5/c1-30-21-4-3-18(24(29)31-22-5-2-17(23(27)28)10-20(22)26)9-19(21)25-11-14-6-15(12-25)8-16(7-14)13-25/h2-5,9-10,14-16H,6-8,11-13H2,1H3,(H,27,28)