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

Systemtic Name: O2-tert-butyl O4-methyl 5-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 5-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 5-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C23H30N2O6 MolecularWeight: 430.4941

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNCC2COC3=CC=CC=C3O2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNCC2COC3=CC=CC=C3O2)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H30N2O6/c1-6-15-19(21(26)28-5)16(25-20(15)22(27)31-23(2,3)4)12-24-11-14-13-29-17-9-7-8-10-18(17)30-14/h7-10,14,24-25H,6,11-13H2,1-5H3