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

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[(quinoxalin-2-ylamino)methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[(quinoxalin-2-ylamino)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[(2-quinoxalinylamino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 3-ethyl-5-[(quinoxalin-2-ylamino)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[(quinoxalin-2-ylamino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC2=NC3=CC=CC=C3N=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC2=NC3=CC=CC=C3N=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H26N4O4/c1-6-13-18(20(27)29-5)16(26-19(13)21(28)30-22(2,3)4)11-24-17-12-23-14-9-7-8-10-15(14)25-17/h7-10,12,26H,6,11H2,1-5H3,(H,24,25)