O3-(2-oxidanylideneethyl) O5-piperazin-1-yl 1-octan-3-yl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: O3-(2-oxidanylideneethyl) O5-piperazin-1-yl 1-octan-3-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: O3-(2-oxoethyl) O5-piperazin-1-yl 1-(1-ethylhexyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-octan-3-yl-4H-pyridine-3,5-dicarboxylic acid O3-(2-oxoethyl) ester O5-(1-piperazinyl) ester IUPAC Name: 3-O-(2-oxoethyl) 5-O-piperazin-1-yl 1-octan-3-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-ethylhexyl)-4H-pyridine-3,5-dicarboxylic acid O3-(2-ketoethyl) ester O5-piperazino ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N1C=C(CC(=C1)C(=O)ON2CCNCC2)C(=O)OCC=O

Isomeric SMILES

CCCCCC(CC)N1C=C(CC(=C1)C(=O)ON2CCNCC2)C(=O)OCC=O

InChI

InChI=1S/C21H33N3O5/c1-3-5-6-7-19(4-2)23-15-17(20(26)28-13-12-25)14-18(16-23)21(27)29-24-10-8-22-9-11-24/h12,15-16,19,22H,3-11,13-14H2,1-2H3