[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylate CAS Name: 3-(2-fluoro-4-methoxyphenyl)-1-adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C25H28FNO5 MolecularWeight: 441.491923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NCC5=CC=CO5)F

Isomeric SMILES

COC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NCC5=CC=CO5)F

InChI

InChI=1S/C25H28FNO5/c1-30-18-4-5-20(21(26)8-18)24-9-16-7-17(10-24)12-25(11-16,15-24)23(29)32-14-22(28)27-13-19-3-2-6-31-19/h2-6,8,16-17H,7,9-15H2,1H3,(H,27,28)