(2S,3S)-1-(1-adamantyl)-5-oxidanylidene-2-phenyl-pyrrolidine-3-carboxylic acid

Systemtic Name: (2S,3S)-1-(1-adamantyl)-5-oxidanylidene-2-phenyl-pyrrolidine-3-carboxylic acid Openeye Name: (2S,3S)-1-(1-adamantyl)-5-oxo-2-phenyl-pyrrolidine-3-carboxylic acid CAS Name: (2S,3S)-1-(1-adamantyl)-5-oxo-2-phenyl-3-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S)-1-(1-adamantyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid Traditional Name: (2S,3S)-1-(1-adamantyl)-5-keto-2-phenyl-pyrrolidine-3-carboxylic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(C(CC4=O)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]([C@H](N(C1=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C21H25NO3/c23-18-9-17(20(24)25)19(16-4-2-1-3-5-16)22(18)21-10-13-6-14(11-21)8-15(7-13)12-21/h1-5,13-15,17,19H,6-12H2,(H,24,25)/t13?,14?,15?,17-,19+,21?/m0/s1