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

Systemtic Name: 2-[1-oxidanyl-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-hydroxy-4-[4-[2-(4-pyridylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid CAS Name: 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]-1-piperazinyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid Traditional Name: 2-[1-hydroxy-4-[4-[2-(4-pyridylamino)ethyl]piperazino]cyclohexyl]acetic acid Formula: C19H30N4O3 MolecularWeight: 362.4665

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CCNC3=CC=NC=C3)(CC(=O)O)O

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CCNC3=CC=NC=C3)(CC(=O)O)O

InChI

InChI=1S/C19H30N4O3/c24-18(25)15-19(26)5-1-17(2-6-19)23-13-11-22(12-14-23)10-9-21-16-3-7-20-8-4-16/h3-4,7-8,17,26H,1-2,5-6,9-15H2,(H,20,21)(H,24,25)