methyl 2,4-bis(fluoranyl)-5-[3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoylamino]benzoate CAS Name: 2,4-difluoro-5-[[1-oxo-3-(2-oxo-3-propyl-1-benzimidazolyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate Traditional Name: 2,4-difluoro-5-[3-(2-keto-3-propyl-benzimidazol-1-yl)propanoylamino]benzoic acid methyl ester Formula: C21H21F2N3O4 MolecularWeight: 417.405946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F2N3O4/c1-3-9-25-17-6-4-5-7-18(17)26(21(25)29)10-8-19(27)24-16-11-13(20(28)30-2)14(22)12-15(16)23/h4-7,11-12H,3,8-10H2,1-2H3,(H,24,27)