[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 2-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 2-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl] 2-fluoro-4-methoxy-benzoate CAS Name: 2-fluoro-4-methoxybenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate Traditional Name: 2-fluoro-4-methoxy-benzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl] ester Formula: C19H18FNO6 MolecularWeight: 375.347723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)NCC2COC3=CC=CC=C3O2)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC[C@H]2COC3=CC=CC=C3O2)F

InChI

InChI=1S/C19H18FNO6/c1-24-12-6-7-14(15(20)8-12)19(23)26-11-18(22)21-9-13-10-25-16-4-2-3-5-17(16)27-13/h2-8,13H,9-11H2,1H3,(H,21,22)/t13-/m0/s1