[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propyl ester Formula: C18H15BrFN3O3 MolecularWeight: 420.232403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C18H15BrFN3O3/c1-2-16(17(24)23-13-6-4-11(19)8-12(13)20)26-18(25)10-3-5-14-15(7-10)22-9-21-14/h3-9,16H,2H2,1H3,(H,21,22)(H,23,24)