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

Systemtic Name: O2-tert-butyl O4-ethyl 3-ethyl-5-[(pyridin-2-ylmethylamino)methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-ethyl-5-[(2-pyridylmethylamino)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[(2-pyridinylmethylamino)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-2-ylmethylamino)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[(2-pyridylmethylamino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC)CNCC2=CC=CC=N2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC)CNCC2=CC=CC=N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O4/c1-6-15-17(19(25)27-7-2)16(13-22-12-14-10-8-9-11-23-14)24-18(15)20(26)28-21(3,4)5/h8-11,22,24H,6-7,12-13H2,1-5H3