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

Systemtic Name: 1-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-methyl-4-[[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]amino]cyclohexanecarboxylic acid CAS Name: 1-methyl-4-[[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-methyl-4-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-methyl-4-[[2-[4-(4-pyridyl)piperazino]acetyl]amino]cyclohexanecarboxylic acid Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3/c1-19(18(25)26)6-2-15(3-7-19)21-17(24)14-22-10-12-23(13-11-22)16-4-8-20-9-5-16/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H,21,24)(H,25,26)