methyl 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-2-fluoro-benzoate CAS Name: 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-2-fluorobenzoate Traditional Name: 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C18H16FNO5 MolecularWeight: 345.321743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CC2=CC3=C(C=C2)OCCO3)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CC2=CC3=C(C=C2)OCCO3)F

InChI

InChI=1S/C18H16FNO5/c1-23-18(22)13-10-12(3-4-14(13)19)20-17(21)9-11-2-5-15-16(8-11)25-7-6-24-15/h2-5,8,10H,6-7,9H2,1H3,(H,20,21)