2-methoxy-2-[1-oxidanyl-4-(4-pyridazin-4-yloxypiperazin-1-yl)cyclohexyl]ethanoic acid

Systemtic Name: 2-methoxy-2-[1-oxidanyl-4-(4-pyridazin-4-yloxypiperazin-1-yl)cyclohexyl]ethanoic acid Openeye Name: 2-[1-hydroxy-4-(4-pyridazin-4-yloxypiperazin-1-yl)cyclohexyl]-2-methoxy-acetic acid CAS Name: 2-[1-hydroxy-4-[4-(4-pyridazinyloxy)-1-piperazinyl]cyclohexyl]-2-methoxyacetic acid IUPAC Name: 2-[1-hydroxy-4-(4-pyridazin-4-yloxypiperazin-1-yl)cyclohexyl]-2-methoxyacetic acid Traditional Name: 2-[1-hydroxy-4-(4-pyridazin-4-yloxypiperazino)cyclohexyl]-2-methoxy-acetic acid Formula: C17H26N4O5 MolecularWeight: 366.41214

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)O)C1(CCC(CC1)N2CCN(CC2)OC3=CN=NC=C3)O

Isomeric SMILES

COC(C(=O)O)C1(CCC(CC1)N2CCN(CC2)OC3=CN=NC=C3)O

InChI

InChI=1S/C17H26N4O5/c1-25-15(16(22)23)17(24)5-2-13(3-6-17)20-8-10-21(11-9-20)26-14-4-7-18-19-12-14/h4,7,12-13,15,24H,2-3,5-6,8-11H2,1H3,(H,22,23)