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

Systemtic Name: 2-[1-oxidanyl-4-[4-[3-(pyridin-4-ylamino)propyl]piperidin-1-yl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-hydroxy-4-[4-[3-(4-pyridylamino)propyl]-1-piperidyl]cyclohexyl]acetic acid CAS Name: 2-[1-hydroxy-4-[4-[3-(pyridin-4-ylamino)propyl]-1-piperidinyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-hydroxy-4-[4-[3-(pyridin-4-ylamino)propyl]piperidin-1-yl]cyclohexyl]acetic acid Traditional Name: 2-[1-hydroxy-4-[4-[3-(4-pyridylamino)propyl]piperidino]cyclohexyl]acetic acid Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCC(CC2)CCCNC3=CC=NC=C3)(CC(=O)O)O

Isomeric SMILES

C1CC(CCC1N2CCC(CC2)CCCNC3=CC=NC=C3)(CC(=O)O)O

InChI

InChI=1S/C21H33N3O3/c25-20(26)16-21(27)9-3-19(4-10-21)24-14-7-17(8-15-24)2-1-11-23-18-5-12-22-13-6-18/h5-6,12-13,17,19,27H,1-4,7-11,14-16H2,(H,22,23)(H,25,26)