5-[2-(2-octan-2-ylpiperazin-1-yl)-2-oxidanylidene-ethoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-[2-(2-octan-2-ylpiperazin-1-yl)-2-oxidanylidene-ethoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-[2-[2-(1-methylheptyl)piperazin-1-yl]-2-oxo-ethoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[[2-(2-octan-2-yl-1-piperazinyl)-2-oxoethoxy]-oxomethyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-[2-(2-octan-2-ylpiperazin-1-yl)-2-oxoethoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[2-keto-2-[2-(1-methylheptyl)piperazino]ethoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1CNCCN1C(=O)COC(=O)C2=CNC=C(C2)C(=O)O

Isomeric SMILES

CCCCCCC(C)C1CNCCN1C(=O)COC(=O)C2=CNC=C(C2)C(=O)O

InChI

InChI=1S/C21H33N3O5/c1-3-4-5-6-7-15(2)18-13-22-8-9-24(18)19(25)14-29-21(28)17-10-16(20(26)27)11-23-12-17/h11-12,15,18,22-23H,3-10,13-14H2,1-2H3,(H,26,27)