[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-methoxybenzoate

Systemtic Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-methoxybenzoate Openeye Name: [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6/c1-12(26-19(22)13-3-6-15(23-2)7-4-13)18(21)20-14-5-8-16-17(11-14)25-10-9-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)/t12-/m0/s1