[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-(2-oxo-3-propyl-benzimidazol-1-yl)acetate CAS Name: 2-(2-oxo-3-propyl-1-benzimidazolyl)acetic acid [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-keto-3-propyl-benzimidazol-1-yl)acetic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21BrFN3O4 MolecularWeight: 478.311543

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OC(C)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OC(C)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H21BrFN3O4/c1-3-10-25-17-6-4-5-7-18(17)26(21(25)29)12-19(27)30-13(2)20(28)24-16-9-8-14(22)11-15(16)23/h4-9,11,13H,3,10,12H2,1-2H3,(H,24,28)