5-(1-adamantyl)-2-fluoranyl-4-methoxy-benzoic acid

Systemtic Name: 5-(1-adamantyl)-2-fluoranyl-4-methoxy-benzoic acid Openeye Name: 5-(1-adamantyl)-2-fluoro-4-methoxy-benzoic acid CAS Name: 5-(1-adamantyl)-2-fluoro-4-methoxybenzoic acid IUPAC Name: 5-(1-adamantyl)-2-fluoro-4-methoxybenzoic acid Traditional Name: 5-(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)F)C(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C18H21FO3/c1-22-16-6-15(19)13(17(20)21)5-14(16)18-7-10-2-11(8-18)4-12(3-10)9-18/h5-6,10-12H,2-4,7-9H2,1H3,(H,20,21)