O2-tert-butyl O4-ethyl 5-[(1,3-benzodioxol-5-ylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-[(1,3-benzodioxol-5-ylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[(1,3-benzodioxol-5-ylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-[(1,3-benzodioxol-5-ylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC)CNC2=CC3=C(C=C2)OCO3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC)CNC2=CC3=C(C=C2)OCO3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N2O6/c1-6-14-18(20(25)27-7-2)15(24-19(14)21(26)30-22(3,4)5)11-23-13-8-9-16-17(10-13)29-12-28-16/h8-10,23-24H,6-7,11-12H2,1-5H3