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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-chloranylphenoxy)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (2S)-2-(4-chlorophenoxy)propanoate CAS Name: (2S)-2-(4-chlorophenoxy)propanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate Traditional Name: (2S)-2-(4-chlorophenoxy)propionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C19H18ClNO6 MolecularWeight: 391.80232

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO6/c1-12(27-15-5-3-14(20)4-6-15)19(23)24-10-18(22)21-9-13-2-7-16-17(8-13)26-11-25-16/h2-8,12H,9-11H2,1H3,(H,21,22)/t12-/m0/s1