[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-fluoranylphenoxy)ethanoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-fluoranylphenoxy)ethanoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(4-fluorophenoxy)acetate CAS Name: 2-(4-fluorophenoxy)acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate Traditional Name: 2-(4-fluorophenoxy)acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C23H27FN2O4 MolecularWeight: 414.469883

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)COC(=O)COC4=CC=C(C=C4)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)COC(=O)COC4=CC=C(C=C4)F

InChI

InChI=1S/C23H27FN2O4/c24-19-2-4-20(5-3-19)29-15-22(28)30-14-21(27)26(7-1-6-25)23-11-16-8-17(12-23)10-18(9-16)13-23/h2-5,16-18H,1,7-15H2