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

Systemtic Name: 2-[1-oxidanyl-4-[4-[4-(pyridin-4-ylamino)butyl]piperidin-1-yl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-hydroxy-4-[4-[4-(4-pyridylamino)butyl]-1-piperidyl]cyclohexyl]acetic acid CAS Name: 2-[1-hydroxy-4-[4-[4-(pyridin-4-ylamino)butyl]-1-piperidinyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-hydroxy-4-[4-[4-(pyridin-4-ylamino)butyl]piperidin-1-yl]cyclohexyl]acetic acid Traditional Name: 2-[1-hydroxy-4-[4-[4-(4-pyridylamino)butyl]piperidino]cyclohexyl]acetic acid Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCC(CC2)CCCCNC3=CC=NC=C3)(CC(=O)O)O

Isomeric SMILES

C1CC(CCC1N2CCC(CC2)CCCCNC3=CC=NC=C3)(CC(=O)O)O

InChI

InChI=1S/C22H35N3O3/c26-21(27)17-22(28)10-4-20(5-11-22)25-15-8-18(9-16-25)3-1-2-12-24-19-6-13-23-14-7-19/h6-7,13-14,18,20,28H,1-5,8-12,15-17H2,(H,23,24)(H,26,27)