2-[[2-(3-methoxy-3-oxidanylidene-propyl)-5-oxidanylidene-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoic acid

Systemtic Name: 2-[[2-(3-methoxy-3-oxidanylidene-propyl)-5-oxidanylidene-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoic acid Openeye Name: 2-[[2-(3-methoxy-3-oxo-propyl)-5-oxo-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoic acid CAS Name: 2-[[2-(3-methoxy-3-oxopropyl)-5-oxo-2-(trifluoromethyl)-3-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 2-[[2-(3-methoxy-3-oxopropyl)-5-oxo-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoic acid Traditional Name: 2-[[5-keto-2-(3-keto-3-methoxy-propyl)-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoic acid Formula: C17H18F3NO6 MolecularWeight: 389.32313

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1(C(CC(=O)N1)COC2=CC=CC=C2C(=O)O)C(F)(F)F

Isomeric SMILES

COC(=O)CCC1(C(CC(=O)N1)COC2=CC=CC=C2C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H18F3NO6/c1-26-14(23)6-7-16(17(18,19)20)10(8-13(22)21-16)9-27-12-5-3-2-4-11(12)15(24)25/h2-5,10H,6-9H2,1H3,(H,21,22)(H,24,25)