2-[1-oxidanyl-4-[4-[4-(pyridin-4-ylamino)butyl]piperazin-1-yl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-oxidanyl-4-[4-[4-(pyridin-4-ylamino)butyl]piperazin-1-yl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-hydroxy-4-[4-[4-(4-pyridylamino)butyl]piperazin-1-yl]cyclohexyl]acetic acid CAS Name: 2-[1-hydroxy-4-[4-[4-(pyridin-4-ylamino)butyl]-1-piperazinyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-hydroxy-4-[4-[4-(pyridin-4-ylamino)butyl]piperazin-1-yl]cyclohexyl]acetic acid Traditional Name: 2-[1-hydroxy-4-[4-[4-(4-pyridylamino)butyl]piperazino]cyclohexyl]acetic acid Formula: C21H34N4O3 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CCCCNC3=CC=NC=C3)(CC(=O)O)O

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CCCCNC3=CC=NC=C3)(CC(=O)O)O

InChI

InChI=1S/C21H34N4O3/c26-20(27)17-21(28)7-3-19(4-8-21)25-15-13-24(14-16-25)12-2-1-9-23-18-5-10-22-11-6-18/h5-6,10-11,19,28H,1-4,7-9,12-17H2,(H,22,23)(H,26,27)