2-[1-oxidanyl-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-oxidanyl-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]-1-piperidyl]cyclohexyl]acetic acid CAS Name: 2-[1-hydroxy-4-[4-[2-(4-pyridazinylamino)ethyl]-1-piperidinyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid Traditional Name: 2-[1-hydroxy-4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidino]cyclohexyl]acetic acid Formula: C19H30N4O3 MolecularWeight: 362.4665

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCC(CC2)CCNC3=CN=NC=C3)(CC(=O)O)O

Isomeric SMILES

C1CC(CCC1N2CCC(CC2)CCNC3=CN=NC=C3)(CC(=O)O)O

InChI

InChI=1S/C19H30N4O3/c24-18(25)13-19(26)7-1-17(2-8-19)23-11-5-15(6-12-23)3-9-20-16-4-10-21-22-14-16/h4,10,14-15,17,26H,1-3,5-9,11-13H2,(H,20,21)(H,24,25)