4-[3-(4-azanyl-3-chloranyl-phenyl)-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[3-(4-azanyl-3-chloranyl-phenyl)-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(4-amino-3-chloro-phenyl)-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[3-(4-amino-3-chlorophenyl)-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-(4-amino-3-chlorophenyl)-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(4-amino-3-chloro-phenyl)-1-fluoro-2-keto-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C20H26ClFN2O4 MolecularWeight: 412.882843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C(=O)CC2=CC(=C(C=C2)N)Cl)(OC3CCC(CC3)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C(C(=O)CC2=CC(=C(C=C2)N)Cl)(OC3CCC(CC3)C(=O)O)F

InChI

InChI=1S/C20H26ClFN2O4/c21-16-11-13(3-8-17(16)23)12-18(25)20(22,24-9-1-2-10-24)28-15-6-4-14(5-7-15)19(26)27/h3,8,11,14-15H,1-2,4-7,9-10,12,23H2,(H,26,27)