O1-dodecyl O5-[(2-nitro-5-piperidin-1-yl-phenyl)methyl] pentanedioate

Systemtic Name: O1-dodecyl O5-[(2-nitro-5-piperidin-1-yl-phenyl)methyl] pentanedioate Openeye Name: O1-dodecyl O5-[[2-nitro-5-(1-piperidyl)phenyl]methyl] pentanedioate CAS Name: pentanedioic acid O1-dodecyl ester O5-[[2-nitro-5-(1-piperidinyl)phenyl]methyl] ester IUPAC Name: 1-O-dodecyl 5-O-[(2-nitro-5-piperidin-1-ylphenyl)methyl] pentanedioate Traditional Name: glutaric acid O1-lauryl ester O5-(2-nitro-5-piperidino-benzyl) ester Formula: C29H46N2O6 MolecularWeight: 518.68534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCCC(=O)OCC1=C(C=CC(=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCCC(=O)OCC1=C(C=CC(=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C29H46N2O6/c1-2-3-4-5-6-7-8-9-10-14-22-36-28(32)16-15-17-29(33)37-24-25-23-26(18-19-27(25)31(34)35)30-20-12-11-13-21-30/h18-19,23H,2-17,20-22,24H2,1H3