O5-octan-3-yl O3-(2-oxidanylidene-2-piperazin-1-yl-ethyl) 1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-octan-3-yl O3-(2-oxidanylidene-2-piperazin-1-yl-ethyl) 1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(1-ethylhexyl) O3-(2-oxo-2-piperazin-1-yl-ethyl) 1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 1,4-dihydropyridine-3,5-dicarboxylic acid O5-octan-3-yl ester O3-[2-oxo-2-(1-piperazinyl)ethyl] ester IUPAC Name: 5-O-octan-3-yl 3-O-(2-oxo-2-piperazin-1-ylethyl) 1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 1,4-dihydropyridine-3,5-dicarboxylic acid O5-(1-ethylhexyl) ester O3-(2-keto-2-piperazino-ethyl) ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C1=CNC=C(C1)C(=O)OCC(=O)N2CCNCC2

Isomeric SMILES

CCCCCC(CC)OC(=O)C1=CNC=C(C1)C(=O)OCC(=O)N2CCNCC2

InChI

InChI=1S/C21H33N3O5/c1-3-5-6-7-18(4-2)29-21(27)17-12-16(13-23-14-17)20(26)28-15-19(25)24-10-8-22-9-11-24/h13-14,18,22-23H,3-12,15H2,1-2H3