[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N2O6/c1-13(28-16-5-2-14(9-21)3-6-16)20(24)25-11-19(23)22-10-15-4-7-17-18(8-15)27-12-26-17/h2-8,13H,10-12H2,1H3,(H,22,23)/t13-/m1/s1