[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C23H27FN2O3 MolecularWeight: 398.470483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4F

InChI

InChI=1S/C23H27FN2O3/c24-19-4-1-2-5-20(19)26(7-3-6-25)21(27)15-29-22(28)14-23-11-16-8-17(12-23)10-18(9-16)13-23/h1-2,4-5,16-18H,3,7-15H2