diethyl 3-propan-2-yl-5-[(pyridin-2-ylmethylamino)methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-propan-2-yl-5-[(pyridin-2-ylmethylamino)methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-isopropyl-5-[(2-pyridylmethylamino)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-propan-2-yl-5-[(2-pyridinylmethylamino)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-propan-2-yl-5-[(pyridin-2-ylmethylamino)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-isopropyl-5-[(2-pyridylmethylamino)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(C)C)C(=O)OCC)CNCC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(C)C)C(=O)OCC)CNCC2=CC=CC=N2

InChI

InChI=1S/C20H27N3O4/c1-5-26-19(24)17-15(12-21-11-14-9-7-8-10-22-14)23-18(16(17)13(3)4)20(25)27-6-2/h7-10,13,21,23H,5-6,11-12H2,1-4H3