(4-bromanyl-2-fluoranyl-phenyl)methyl 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)propionic acid (4-bromo-2-fluoro-benzyl) ester Formula: C18H16BrFN2O3 MolecularWeight: 407.233643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H16BrFN2O3/c1-21-15-4-2-3-5-16(15)22(18(21)24)9-8-17(23)25-11-12-6-7-13(19)10-14(12)20/h2-7,10H,8-9,11H2,1H3