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

Systemtic Name: 4-[1-fluoranyl-3-[2-(1-methylpyrrol-2-yl)-1,3-benzoxazol-6-yl]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[1-fluoro-3-[2-(1-methylpyrrol-2-yl)-1,3-benzoxazol-6-yl]-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[1-fluoro-3-[2-(1-methyl-2-pyrrolyl)-1,3-benzoxazol-6-yl]-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[1-fluoro-3-[2-(1-methylpyrrol-2-yl)-1,3-benzoxazol-6-yl]-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[1-fluoro-2-keto-3-[2-(1-methylpyrrol-2-yl)-1,3-benzoxazol-6-yl]-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C26H30FN3O5 MolecularWeight: 483.531903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NC3=C(O2)C=C(C=C3)CC(=O)C(N4CCCC4)(OC5CCC(CC5)C(=O)O)F

Isomeric SMILES

CN1C=CC=C1C2=NC3=C(O2)C=C(C=C3)CC(=O)C(N4CCCC4)(OC5CCC(CC5)C(=O)O)F

InChI

InChI=1S/C26H30FN3O5/c1-29-12-4-5-21(29)24-28-20-11-6-17(15-22(20)34-24)16-23(31)26(27,30-13-2-3-14-30)35-19-9-7-18(8-10-19)25(32)33/h4-6,11-12,15,18-19H,2-3,7-10,13-14,16H2,1H3,(H,32,33)