4-[5-(4-pyridin-4-ylpiperazin-1-yl)pentanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[5-(4-pyridin-4-ylpiperazin-1-yl)pentanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[5-[4-(4-pyridyl)piperazin-1-yl]pentanoylamino]cyclohexanecarboxylic acid CAS Name: 4-[[1-oxo-5-(4-pyridin-4-yl-1-piperazinyl)pentyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[5-(4-pyridin-4-ylpiperazin-1-yl)pentanoylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[5-[4-(4-pyridyl)piperazino]pentanoylamino]cyclohexanecarboxylic acid Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)CCCCN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)CCCCN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H32N4O3/c26-20(23-18-6-4-17(5-7-18)21(27)28)3-1-2-12-24-13-15-25(16-14-24)19-8-10-22-11-9-19/h8-11,17-18H,1-7,12-16H2,(H,23,26)(H,27,28)