[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] (2R)-2-acetamido-3-phenyl-propanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] (2R)-2-acetamido-3-phenyl-propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] (2R)-2-acetamido-3-phenyl-propanoate CAS Name: (2R)-2-acetamido-3-phenylpropanoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (2R)-2-acetamido-3-phenylpropanoate Traditional Name: (2R)-2-acetamido-3-phenyl-propionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H21NO6/c1-14(23)22-17(11-15-5-3-2-4-6-15)21(25)28-13-18(24)16-7-8-19-20(12-16)27-10-9-26-19/h2-8,12,17H,9-11,13H2,1H3,(H,22,23)/t17-/m1/s1