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

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[(2-piperidin-1-yl-2-pyridin-3-yl-ethyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[[2-(1-piperidyl)-2-(3-pyridyl)ethyl]amino]methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[[[2-(1-piperidinyl)-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-piperidin-1-yl-2-pyridin-3-ylethyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[[[2-piperidino-2-(3-pyridyl)ethyl]amino]methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C26H38N4O4 MolecularWeight: 470.60432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNCC(C2=CN=CC=C2)N3CCCCC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNCC(C2=CN=CC=C2)N3CCCCC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H38N4O4/c1-6-19-22(24(31)33-5)20(29-23(19)25(32)34-26(2,3)4)16-28-17-21(18-11-10-12-27-15-18)30-13-8-7-9-14-30/h10-12,15,21,28-29H,6-9,13-14,16-17H2,1-5H3