4-[3-[4-[(2-bromophenyl)carbamoylamino]phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]benzoic acid

Systemtic Name: 4-[3-[4-[(2-bromophenyl)carbamoylamino]phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]benzoic acid Openeye Name: 4-[3-[4-[(2-bromophenyl)carbamoylamino]phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]benzoic acid CAS Name: 4-[3-[4-[[(2-bromoanilino)-oxomethyl]amino]phenyl]-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]benzoic acid IUPAC Name: 4-[3-[4-[(2-bromophenyl)carbamoylamino]phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]benzoic acid Traditional Name: 4-[3-[4-[(2-bromophenyl)carbamoylamino]phenyl]-1-fluoro-2-keto-1-pyrrolidino-propoxy]benzoic acid Formula: C27H25BrFN3O5 MolecularWeight: 570.406903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C(=O)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3Br)(OC4=CC=C(C=C4)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C(C(=O)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3Br)(OC4=CC=C(C=C4)C(=O)O)F

InChI

InChI=1S/C27H25BrFN3O5/c28-22-5-1-2-6-23(22)31-26(36)30-20-11-7-18(8-12-20)17-24(33)27(29,32-15-3-4-16-32)37-21-13-9-19(10-14-21)25(34)35/h1-2,5-14H,3-4,15-17H2,(H,34,35)(H2,30,31,36)