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

Systemtic Name: methyl 4-fluoranyl-3-[3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoylamino]benzoate Openeye Name: methyl 4-fluoro-3-[3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoylamino]benzoate CAS Name: 4-fluoro-3-[[1-oxo-3-(2-oxo-3-propyl-1-benzimidazolyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate Traditional Name: 4-fluoro-3-[3-(2-keto-3-propyl-benzimidazol-1-yl)propanoylamino]benzoic acid methyl ester Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O4/c1-3-11-24-17-6-4-5-7-18(17)25(21(24)28)12-10-19(26)23-16-13-14(20(27)29-2)8-9-15(16)22/h4-9,13H,3,10-12H2,1-2H3,(H,23,26)