[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)propionic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H20N2O7/c1-13(20(25)22-11-14-6-7-17-18(10-14)28-12-27-17)29-19(24)8-9-23-15-4-2-3-5-16(15)30-21(23)26/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,25)/t13-/m1/s1