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

Systemtic Name: 2-methoxy-2-[1-oxidanyl-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-hydroxy-4-[4-[2-(4-pyridylamino)ethyl]piperazin-1-yl]cyclohexyl]-2-methoxy-acetic acid CAS Name: 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]-1-piperazinyl]cyclohexyl]-2-methoxyacetic acid IUPAC Name: 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]-2-methoxyacetic acid Traditional Name: 2-[1-hydroxy-4-[4-[2-(4-pyridylamino)ethyl]piperazino]cyclohexyl]-2-methoxy-acetic acid Formula: C20H32N4O4 MolecularWeight: 392.49248

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)O)C1(CCC(CC1)N2CCN(CC2)CCNC3=CC=NC=C3)O

Isomeric SMILES

COC(C(=O)O)C1(CCC(CC1)N2CCN(CC2)CCNC3=CC=NC=C3)O

InChI

InChI=1S/C20H32N4O4/c1-28-18(19(25)26)20(27)6-2-17(3-7-20)24-14-12-23(13-15-24)11-10-22-16-4-8-21-9-5-16/h4-5,8-9,17-18,27H,2-3,6-7,10-15H2,1H3,(H,21,22)(H,25,26)