[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 5-methyl-2-phenyl-oxazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-oxazolecarboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-oxazole-4-carboxylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N2O6/c1-13-19(24-21(29-13)16-6-4-3-5-7-16)22(26)30-14(2)20(25)23-11-15-8-9-17-18(10-15)28-12-27-17/h3-10,14H,11-12H2,1-2H3,(H,23,25)