[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-keto-ethyl] ester Formula: C21H22FNO5 MolecularWeight: 387.401483

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)COC(=O)C3=CC(=C(C=C3)C)F

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)COC(=O)C3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H22FNO5/c1-3-23(12-15-5-7-18-19(10-15)27-9-8-26-18)20(24)13-28-21(25)16-6-4-14(2)17(22)11-16/h4-7,10-11H,3,8-9,12-13H2,1-2H3