2-[1-oxidanyl-4-[4-[3-(pyridin-4-ylamino)propyl]piperazin-1-yl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-oxidanyl-4-[4-[3-(pyridin-4-ylamino)propyl]piperazin-1-yl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-hydroxy-4-[4-[3-(4-pyridylamino)propyl]piperazin-1-yl]cyclohexyl]acetic acid CAS Name: 2-[1-hydroxy-4-[4-[3-(pyridin-4-ylamino)propyl]-1-piperazinyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-hydroxy-4-[4-[3-(pyridin-4-ylamino)propyl]piperazin-1-yl]cyclohexyl]acetic acid Traditional Name: 2-[1-hydroxy-4-[4-[3-(4-pyridylamino)propyl]piperazino]cyclohexyl]acetic acid Formula: C20H32N4O3 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CCCNC3=CC=NC=C3)(CC(=O)O)O

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CCCNC3=CC=NC=C3)(CC(=O)O)O

InChI

InChI=1S/C20H32N4O3/c25-19(26)16-20(27)6-2-18(3-7-20)24-14-12-23(13-15-24)11-1-8-22-17-4-9-21-10-5-17/h4-5,9-10,18,27H,1-3,6-8,11-16H2,(H,21,22)(H,25,26)