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

Systemtic Name: O1-dodecyl O4-[4-(2-octylpyrimidin-5-yl)phenyl] piperidine-1,4-dicarboxylate Openeye Name: O1-dodecyl O4-[4-(2-octylpyrimidin-5-yl)phenyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-dodecyl ester O4-[4-(2-octyl-5-pyrimidinyl)phenyl] ester IUPAC Name: 1-O-dodecyl 4-O-[4-(2-octylpyrimidin-5-yl)phenyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-lauryl ester O4-[4-(2-octylpyrimidin-5-yl)phenyl] ester Formula: C37H57N3O4 MolecularWeight: 607.86618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CN=C(N=C3)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CN=C(N=C3)CCCCCCCC

InChI

InChI=1S/C37H57N3O4/c1-3-5-7-9-11-12-13-14-16-18-28-43-37(42)40-26-24-32(25-27-40)36(41)44-34-22-20-31(21-23-34)33-29-38-35(39-30-33)19-17-15-10-8-6-4-2/h20-23,29-30,32H,3-19,24-28H2,1-2H3