O1-octyl O4-[4-(2-undecylpyrimidin-5-yl)phenyl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-octyl O4-[4-(2-undecylpyrimidin-5-yl)phenyl] piperidine-1,4-dicarboxylate Openeye Name: O1-octyl O4-[4-(2-undecylpyrimidin-5-yl)phenyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-octyl ester O4-[4-(2-undecyl-5-pyrimidinyl)phenyl] ester IUPAC Name: 1-O-octyl 4-O-[4-(2-undecylpyrimidin-5-yl)phenyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-octyl ester O4-[4-(2-undecylpyrimidin-5-yl)phenyl] ester Formula: C36H55N3O4 MolecularWeight: 593.8396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)OCCCCCCCC

InChI

InChI=1S/C36H55N3O4/c1-3-5-7-9-11-12-13-14-16-18-34-37-28-32(29-38-34)30-19-21-33(22-20-30)43-35(40)31-23-25-39(26-24-31)36(41)42-27-17-15-10-8-6-4-2/h19-22,28-29,31H,3-18,23-27H2,1-2H3