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

Systemtic Name: methyl 4-[1-fluoranyl-3-[2-(1-methylpyrrol-2-yl)-1,3-benzoxazol-6-yl]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate Openeye Name: methyl 4-[1-fluoro-3-[2-(1-methylpyrrol-2-yl)-1,3-benzoxazol-6-yl]-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylate 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 methyl ester IUPAC Name: methyl 4-[1-fluoro-3-[2-(1-methylpyrrol-2-yl)-1,3-benzoxazol-6-yl]-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylate Traditional Name: 4-[1-fluoro-2-keto-3-[2-(1-methylpyrrol-2-yl)-1,3-benzoxazol-6-yl]-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid methyl ester Formula: C27H32FN3O5 MolecularWeight: 497.558483

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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)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C27H32FN3O5/c1-30-13-5-6-22(30)25-29-21-12-7-18(16-23(21)35-25)17-24(32)27(28,31-14-3-4-15-31)36-20-10-8-19(9-11-20)26(33)34-2/h5-7,12-13,16,19-20H,3-4,8-11,14-15,17H2,1-2H3