1-[3-(1,3-benzoxazol-6-yl)-3-[(2-bromophenyl)amino]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate

Systemtic Name: 1-[3-(1,3-benzoxazol-6-yl)-3-[(2-bromophenyl)amino]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate Openeye Name: 1-[3-(1,3-benzoxazol-6-yl)-3-(2-bromoanilino)-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylate CAS Name: 1-[3-(1,3-benzoxazol-6-yl)-3-(2-bromoanilino)-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylate IUPAC Name: 1-[3-(1,3-benzoxazol-6-yl)-3-(2-bromoanilino)-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylate Traditional Name: 1-[3-(1,3-benzoxazol-6-yl)-3-(2-bromoanilino)-1-fluoro-2-keto-1-pyrrolidino-propoxy]cyclohexanecarboxylate Formula: C27H28BrFN3O5- MolecularWeight: 573.430723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)[O-])OC(C(=O)C(C2=CC3=C(C=C2)N=CO3)NC4=CC=CC=C4Br)(N5CCCC5)F

Isomeric SMILES

C1CCC(CC1)(C(=O)[O-])OC(C(=O)C(C2=CC3=C(C=C2)N=CO3)NC4=CC=CC=C4Br)(N5CCCC5)F

InChI

InChI=1S/C27H29BrFN3O5/c28-19-8-2-3-9-20(19)31-23(18-10-11-21-22(16-18)36-17-30-21)24(33)27(29,32-14-6-7-15-32)37-26(25(34)35)12-4-1-5-13-26/h2-3,8-11,16-17,23,31H,1,4-7,12-15H2,(H,34,35)/p-1