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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (3S)-1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-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-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-fluorophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H29FN2O4 MolecularWeight: 428.496463

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=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)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29FN2O4/c25-19-3-1-2-4-20(19)27-12-18(8-22(27)29)23(30)31-13-21(28)26-14-24-9-15-5-16(10-24)7-17(6-15)11-24/h1-4,15-18H,5-14H2,(H,26,28)/t15?,16?,17?,18-,24?/m0/s1