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

Systemtic Name: 2-oxidanyl-2-[4-[4-[3-(pyridin-4-ylamino)propyl]piperidin-1-yl]cyclohexyl]ethanoic acid Openeye Name: 2-hydroxy-2-[4-[4-[3-(4-pyridylamino)propyl]-1-piperidyl]cyclohexyl]acetic acid CAS Name: 2-hydroxy-2-[4-[4-[3-(pyridin-4-ylamino)propyl]-1-piperidinyl]cyclohexyl]acetic acid IUPAC Name: 2-hydroxy-2-[4-[4-[3-(pyridin-4-ylamino)propyl]piperidin-1-yl]cyclohexyl]acetic acid Traditional Name: 2-hydroxy-2-[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(CCC1C(C(=O)O)O)N2CCC(CC2)CCCNC3=CC=NC=C3

Isomeric SMILES

C1CC(CCC1C(C(=O)O)O)N2CCC(CC2)CCCNC3=CC=NC=C3

InChI

InChI=1S/C21H33N3O3/c25-20(21(26)27)17-3-5-19(6-4-17)24-14-9-16(10-15-24)2-1-11-23-18-7-12-22-13-8-18/h7-8,12-13,16-17,19-20,25H,1-6,9-11,14-15H2,(H,22,23)(H,26,27)