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

Systemtic Name: O1-octyl O4-[4-(2-octylsulfanylpyrimidin-5-yl)phenyl] piperidine-1,4-dicarboxylate Openeye Name: O1-octyl O4-[4-(2-octylsulfanylpyrimidin-5-yl)phenyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-octyl ester O4-[4-[2-(octylthio)-5-pyrimidinyl]phenyl] ester IUPAC Name: 1-O-octyl 4-O-[4-(2-octylsulfanylpyrimidin-5-yl)phenyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-octyl ester O4-[4-[2-(octylthio)pyrimidin-5-yl]phenyl] ester Formula: C33H49N3O4S MolecularWeight: 583.82486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CN=C(N=C3)SCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CN=C(N=C3)SCCCCCCCC

InChI

InChI=1S/C33H49N3O4S/c1-3-5-7-9-11-13-23-39-33(38)36-21-19-28(20-22-36)31(37)40-30-17-15-27(16-18-30)29-25-34-32(35-26-29)41-24-14-12-10-8-6-4-2/h15-18,25-26,28H,3-14,19-24H2,1-2H3