4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-[4-(4-pyridyl)piperazin-1-yl]propanoylamino]cyclohexanecarboxylic acid CAS Name: 4-[[1-oxo-3-(4-pyridin-4-yl-1-piperazinyl)propyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-[4-(4-pyridyl)piperazino]propanoylamino]cyclohexanecarboxylic acid Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)CCN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)CCN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C19H28N4O3/c24-18(21-16-3-1-15(2-4-16)19(25)26)7-10-22-11-13-23(14-12-22)17-5-8-20-9-6-17/h5-6,8-9,15-16H,1-4,7,10-14H2,(H,21,24)(H,25,26)