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

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (2R)-2-(3-methylphenoxy)propanoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (2R)-2-(3-methylphenoxy)propanoate CAS Name: (2R)-2-(3-methylphenoxy)propanoic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate Traditional Name: (2R)-2-(3-methylphenoxy)propionic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)O[C@@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23NO6/c1-13-5-4-6-17(9-13)27-15(3)21(24)28-14(2)20(23)22-11-16-7-8-18-19(10-16)26-12-25-18/h4-10,14-15H,11-12H2,1-3H3,(H,22,23)/t14-,15+/m0/s1