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

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 5-[[(1-benzyl-4-piperidyl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 5-[[(1-benzylpiperidin-4-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(1-benzyl-4-piperidyl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C26H37N3O4 MolecularWeight: 455.58968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC2CCN(CC2)CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC2CCN(CC2)CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H37N3O4/c1-6-20-22(24(30)32-5)21(28-23(20)25(31)33-26(2,3)4)16-27-19-12-14-29(15-13-19)17-18-10-8-7-9-11-18/h7-11,19,27-28H,6,12-17H2,1-5H3