[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 2-(4-ethanoylphenoxy)ethanoate

Systemtic Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 2-(4-ethanoylphenoxy)ethanoate Openeye Name: [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 2-(4-acetylphenoxy)acetate CAS Name: 2-(4-acetylphenoxy)acetic acid [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate Traditional Name: 2-(4-acetylphenoxy)acetic acid [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)COC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)COC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H21NO7/c1-13(23)15-3-6-17(7-4-15)28-12-20(24)29-14(2)21(25)22-16-5-8-18-19(11-16)27-10-9-26-18/h3-8,11,14H,9-10,12H2,1-2H3,(H,22,25)/t14-/m1/s1