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

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(2-fluorophenyl)propanoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(2-fluorophenyl)propanoate CAS Name: 3-(2-fluorophenyl)propanoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate Traditional Name: 3-(2-fluorophenyl)propionic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C24H29FN2O3 MolecularWeight: 412.497063

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)COC(=O)CCC4=CC=CC=C4F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)COC(=O)CCC4=CC=CC=C4F

InChI

InChI=1S/C24H29FN2O3/c25-21-5-2-1-4-20(21)6-7-23(29)30-16-22(28)27(9-3-8-26)24-13-17-10-18(14-24)12-19(11-17)15-24/h1-2,4-5,17-19H,3,6-7,9-16H2