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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-2-phenyl-propanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-methyl-2-phenyl-propanoate CAS Name: 2-methyl-2-phenylpropanoic 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] 2-methyl-2-phenylpropanoate Traditional Name: 2-methyl-2-phenyl-propionic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO5/c1-14(27-20(24)21(2,3)16-7-5-4-6-8-16)19(23)22-12-15-9-10-17-18(11-15)26-13-25-17/h4-11,14H,12-13H2,1-3H3,(H,22,23)/t14-/m1/s1