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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-14(24)22-17(15-5-3-2-4-6-15)12-21(26)29-13-20(25)23-16-7-8-18-19(11-16)28-10-9-27-18/h2-8,11,17H,9-10,12-13H2,1H3,(H,22,24)(H,23,25)/t17-/m1/s1