O2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-isopropyl ester O2-[2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H26N2O7 MolecularWeight: 430.45104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H26N2O7/c1-11(2)30-21(26)18-12(3)19(24-13(18)4)22(27)31-14(5)20(25)23-9-15-6-7-16-17(8-15)29-10-28-16/h6-8,11,14,24H,9-10H2,1-5H3,(H,23,25)