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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O7/c1-14(23-20(25)12-27-16-5-3-2-4-6-16)21(26)28-11-19(24)22-10-15-7-8-17-18(9-15)30-13-29-17/h2-9,14H,10-13H2,1H3,(H,22,24)(H,23,25)/t14-/m0/s1