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

Systemtic Name: O5-octan-3-yl O3-(2-oxidanylidene-2-piperazin-1-yl-ethyl) 2-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(1-ethylhexyl) O3-(2-oxo-2-piperazin-1-yl-ethyl) 2-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-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) 2-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(1-ethylhexyl) ester O3-(2-keto-2-piperazino-ethyl) ester Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O5/c1-4-6-7-8-18(5-2)30-21(27)17-13-19(16(3)24-14-17)22(28)29-15-20(26)25-11-9-23-10-12-25/h14,18,23-24H,4-13,15H2,1-3H3