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

Systemtic Name: O2-tert-butyl O4-ethyl 3-ethyl-5-[(pyridin-3-ylamino)methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-ethyl-5-[(3-pyridylamino)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[(3-pyridinylamino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3-ethyl-5-[(pyridin-3-ylamino)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[(3-pyridylamino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC)CNC2=CN=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC)CNC2=CN=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O4/c1-6-14-16(18(24)26-7-2)15(12-22-13-9-8-10-21-11-13)23-17(14)19(25)27-20(3,4)5/h8-11,22-23H,6-7,12H2,1-5H3