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

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[(2-morpholin-4-yl-2-pyridin-3-yl-ethyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[[2-morpholino-2-(3-pyridyl)ethyl]amino]methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[[[2-(4-morpholinyl)-2-(3-pyridinyl)ethyl]amino]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-[[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[[[2-morpholino-2-(3-pyridyl)ethyl]amino]methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C25H36N4O5 MolecularWeight: 472.57714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNCC(C2=CN=CC=C2)N3CCOCC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNCC(C2=CN=CC=C2)N3CCOCC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H36N4O5/c1-6-18-21(23(30)32-5)19(28-22(18)24(31)34-25(2,3)4)15-27-16-20(17-8-7-9-26-14-17)29-10-12-33-13-11-29/h7-9,14,20,27-28H,6,10-13,15-16H2,1-5H3