3-(1-adamantyl)-2-fluoranyl-4-methoxy-benzoic acid

Systemtic Name: 3-(1-adamantyl)-2-fluoranyl-4-methoxy-benzoic acid Openeye Name: 3-(1-adamantyl)-2-fluoro-4-methoxy-benzoic acid CAS Name: 3-(1-adamantyl)-2-fluoro-4-methoxybenzoic acid IUPAC Name: 3-(1-adamantyl)-2-fluoro-4-methoxybenzoic acid Traditional Name: 3-(1-adamantyl)-2-fluoro-4-methoxy-benzoic acid Formula: C18H21FO3 MolecularWeight: 304.355943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)O)F)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)O)F)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H21FO3/c1-22-14-3-2-13(17(20)21)16(19)15(14)18-7-10-4-11(8-18)6-12(5-10)9-18/h2-3,10-12H,4-9H2,1H3,(H,20,21)