4-[3-(1,3-benzoxazol-6-yl)-1-fluoranyl-2-oxidanylidene-3-phenylazanyl-1-pyrrolidin-1-yl-propoxy]benzoic acid

Systemtic Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoranyl-2-oxidanylidene-3-phenylazanyl-1-pyrrolidin-1-yl-propoxy]benzoic acid Openeye Name: 4-[3-anilino-3-(1,3-benzoxazol-6-yl)-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]benzoic acid CAS Name: 4-[3-anilino-3-(1,3-benzoxazol-6-yl)-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]benzoic acid IUPAC Name: 4-[3-anilino-3-(1,3-benzoxazol-6-yl)-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]benzoic acid Traditional Name: 4-[3-anilino-3-(1,3-benzoxazol-6-yl)-1-fluoro-2-keto-1-pyrrolidino-propoxy]benzoic acid Formula: C27H24FN3O5 MolecularWeight: 489.494963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C(=O)C(C2=CC3=C(C=C2)N=CO3)NC4=CC=CC=C4)(OC5=CC=C(C=C5)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C(C(=O)C(C2=CC3=C(C=C2)N=CO3)NC4=CC=CC=C4)(OC5=CC=C(C=C5)C(=O)O)F

InChI

InChI=1S/C27H24FN3O5/c28-27(31-14-4-5-15-31,36-21-11-8-18(9-12-21)26(33)34)25(32)24(30-20-6-2-1-3-7-20)19-10-13-22-23(16-19)35-17-29-22/h1-3,6-13,16-17,24,30H,4-5,14-15H2,(H,33,34)