4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-chloranyl-phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate

Systemtic Name: 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-chloranyl-phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate Openeye Name: 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-chloro-phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylate CAS Name: 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylate IUPAC Name: 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-chlorophenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylate Traditional Name: 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-chloro-phenyl]-1-fluoro-2-keto-1-pyrrolidino-propoxy]cyclohexanecarboxylate Formula: C27H28ClFN3O5- MolecularWeight: 528.979723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C(=O)CC2=CC(=C(C=C2)NC3=NC4=CC=CC=C4O3)Cl)(OC5CCC(CC5)C(=O)[O-])F

Isomeric SMILES

C1CCN(C1)C(C(=O)CC2=CC(=C(C=C2)NC3=NC4=CC=CC=C4O3)Cl)(OC5CCC(CC5)C(=O)[O-])F

InChI

InChI=1S/C27H29ClFN3O5/c28-20-15-17(7-12-21(20)30-26-31-22-5-1-2-6-23(22)36-26)16-24(33)27(29,32-13-3-4-14-32)37-19-10-8-18(9-11-19)25(34)35/h1-2,5-7,12,15,18-19H,3-4,8-11,13-14,16H2,(H,30,31)(H,34,35)/p-1