[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (3S)-1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (3S)-1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (3S)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-fluorophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H27FN2O4 MolecularWeight: 414.469883

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4CC(=O)N(C4)C5=CC=CC=C5F

Isomeric SMILES

C1[C@@H](CN(C1=O)C2=CC=CC=C2F)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27FN2O4/c24-18-3-1-2-4-19(18)26-12-17(8-21(26)28)22(29)30-13-20(27)25-23-9-14-5-15(10-23)7-16(6-14)11-23/h1-4,14-17H,5-13H2,(H,25,27)/t14?,15?,16?,17-,23?/m0/s1