(2S)-4-oxidanyl-1-[4-(6-oxidanylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-4-oxidanyl-1-[4-(6-oxidanylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-hydroxy-1-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-hydroxy-1-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-hydroxy-1-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-hydroxy-1-[4-(6-keto-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]proline Formula: C16H14F3N3O4 MolecularWeight: 369.29527

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F)O

Isomeric SMILES

C1[C@H](N(CC1O)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H14F3N3O4/c17-16(18,19)10-5-8(11-2-4-14(24)21-20-11)1-3-12(10)22-7-9(23)6-13(22)15(25)26/h1-5,9,13,23H,6-7H2,(H,21,24)(H,25,26)/t9?,13-/m0/s1