methyl 5-[3-(benzimidazol-1-yl)propanoylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[3-(benzimidazol-1-yl)propanoylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[3-(benzimidazol-1-yl)propanoylamino]-2-fluoro-benzoate CAS Name: 5-[[3-(1-benzimidazolyl)-1-oxopropyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[3-(benzimidazol-1-yl)propanoylamino]-2-fluorobenzoate Traditional Name: 5-[3-(benzimidazol-1-yl)propanoylamino]-2-fluoro-benzoic acid methyl ester Formula: C18H16FN3O3 MolecularWeight: 341.336343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CCN2C=NC3=CC=CC=C32)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CCN2C=NC3=CC=CC=C32)F

InChI

InChI=1S/C18H16FN3O3/c1-25-18(24)13-10-12(6-7-14(13)19)21-17(23)8-9-22-11-20-15-4-2-3-5-16(15)22/h2-7,10-11H,8-9H2,1H3,(H,21,23)