[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-pent-2-enoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-pent-2-enoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic 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] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-3-4-5-15(18)22-11(2)16(19)17-9-12-6-7-13-14(8-12)21-10-20-13/h4-8,11H,3,9-10H2,1-2H3,(H,17,19)/b5-4+/t11-/m1/s1