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

Systemtic Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-propoxybenzoate Openeye Name: [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic 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] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H23NO6/c1-3-10-25-17-7-4-15(5-8-17)21(24)28-14(2)20(23)22-16-6-9-18-19(13-16)27-12-11-26-18/h4-9,13-14H,3,10-12H2,1-2H3,(H,22,23)/t14-/m1/s1