[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)furan-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)furan-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 5-(4-fluorophenyl)furan-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-furancarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 5-(4-fluorophenyl)furan-2-carboxylate Traditional Name: 5-(4-fluorophenyl)furan-2-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H24FNO4 MolecularWeight: 397.439363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(O4)C5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(O4)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H24FNO4/c24-18-3-1-17(2-4-18)19-5-6-20(29-19)22(27)28-13-21(26)25-23-10-14-7-15(11-23)9-16(8-14)12-23/h1-6,14-16H,7-13H2,(H,25,26)