(2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol

Systemtic Name: (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol Openeye Name: (2S)-5-oxopyrrolidine-2-carboxylic acid; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol CAS Name: (2S)-5-oxo-2-pyrrolidinecarboxylic acid; 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol IUPAC Name: (2S)-5-oxopyrrolidine-2-carboxylic acid; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol Traditional Name: (2S)-5-ketoproline; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazino]ethanol Formula: C32H40F3N5O7S MolecularWeight: 695.74951

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)O.C1CC(=O)NC1C(=O)O.C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

Isomeric SMILES

C1CC(=O)N[C@@H]1C(=O)O.C1CC(=O)N[C@@H]1C(=O)O.C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

InChI

InChI=1S/C22H26F3N3OS.2C5H7NO3/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29;2*7-4-2-1-3(6-4)5(8)9/h1-2,4-7,16,29H,3,8-15H2;2*3H,1-2H2,(H,6,7)(H,8,9)/t;2*3-/m.00/s1