4-[3-(1,3-benzoxazol-6-yl)-1-fluoranyl-2-oxidanylidene-3-pyridin-3-yl-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoranyl-2-oxidanylidene-3-pyridin-3-yl-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-2-oxo-3-(3-pyridyl)-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-2-oxo-3-(3-pyridinyl)-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-2-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-2-keto-3-(3-pyridyl)-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C26H28FN3O5 MolecularWeight: 481.516023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C(=O)C(C2=CC3=C(C=C2)N=CO3)C4=CN=CC=C4)(OC5CCC(CC5)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C(C(=O)C(C2=CC3=C(C=C2)N=CO3)C4=CN=CC=C4)(OC5CCC(CC5)C(=O)O)F

InChI

InChI=1S/C26H28FN3O5/c27-26(30-12-1-2-13-30,35-20-8-5-17(6-9-20)25(32)33)24(31)23(19-4-3-11-28-15-19)18-7-10-21-22(14-18)34-16-29-21/h3-4,7,10-11,14-17,20,23H,1-2,5-6,8-9,12-13H2,(H,32,33)