[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(3-fluorophenyl)ethanoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(3-fluorophenyl)ethanoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(3-fluorophenyl)acetate CAS Name: 2-(3-fluorophenyl)acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 2-(3-fluorophenyl)acetate Traditional Name: 2-(3-fluorophenyl)acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C23H27FN2O3 MolecularWeight: 398.470483

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)COC(=O)CC4=CC(=CC=C4)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)COC(=O)CC4=CC(=CC=C4)F

InChI

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