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

Systemtic Name: O2-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester O4-ethyl ester IUPAC Name: 2-O-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester O4-ethyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)O[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H22N2O7/c1-5-26-19(24)16-10(2)17(21-11(16)3)20(25)29-12(4)18(23)22-13-6-7-14-15(8-13)28-9-27-14/h6-8,12,21H,5,9H2,1-4H3,(H,22,23)/t12-/m1/s1