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

Systemtic Name: 2-oxidanyl-2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]ethanoic acid Openeye Name: 2-hydroxy-2-[4-[4-[2-(4-pyridylamino)ethyl]-1-piperidyl]cyclohexyl]acetic acid CAS Name: 2-hydroxy-2-[4-[4-[2-(pyridin-4-ylamino)ethyl]-1-piperidinyl]cyclohexyl]acetic acid IUPAC Name: 2-hydroxy-2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid Traditional Name: 2-hydroxy-2-[4-[4-[2-(4-pyridylamino)ethyl]piperidino]cyclohexyl]acetic acid Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(C(=O)O)O)N2CCC(CC2)CCNC3=CC=NC=C3

Isomeric SMILES

C1CC(CCC1C(C(=O)O)O)N2CCC(CC2)CCNC3=CC=NC=C3

InChI

InChI=1S/C20H31N3O3/c24-19(20(25)26)16-1-3-18(4-2-16)23-13-8-15(9-14-23)5-12-22-17-6-10-21-11-7-17/h6-7,10-11,15-16,18-19,24H,1-5,8-9,12-14H2,(H,21,22)(H,25,26)