1-(2-methylpropyl)-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-(2-methylpropyl)-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-isobutyl-4-[[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]amino]cyclohexanecarboxylic acid CAS Name: 1-(2-methylpropyl)-4-[[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-(2-methylpropyl)-4-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-isobutyl-4-[[2-[4-(4-pyridyl)piperazino]acetyl]amino]cyclohexanecarboxylic acid Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CCC(CC1)NC(=O)CN2CCN(CC2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC(C)CC1(CCC(CC1)NC(=O)CN2CCN(CC2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C22H34N4O3/c1-17(2)15-22(21(28)29)7-3-18(4-8-22)24-20(27)16-25-11-13-26(14-12-25)19-5-9-23-10-6-19/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3,(H,24,27)(H,28,29)