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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-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] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6/c1-14(22(27)23-12-16-8-9-19-20(10-16)29-13-28-19)30-21(26)11-18(24-15(2)25)17-6-4-3-5-7-17/h3-10,14,18H,11-13H2,1-2H3,(H,23,27)(H,24,25)/t14-,18-/m1/s1