[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 7-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-fluoro-3-methyl-2-benzofurancarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-fluoro-3-methyl-coumarilic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H24FNO4 MolecularWeight: 385.428663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H24FNO4/c1-12-16-3-2-4-17(23)20(16)28-19(12)21(26)27-11-18(25)24-22-8-13-5-14(9-22)7-15(6-13)10-22/h2-4,13-15H,5-11H2,1H3,(H,24,25)