2-methoxy-2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]ethanoic acid

Systemtic Name: 2-methoxy-2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]ethanoic acid Openeye Name: 2-methoxy-2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]-1-piperidyl]cyclohexyl]acetic acid CAS Name: 2-methoxy-2-[4-[4-[2-(4-pyridazinylamino)ethyl]-1-piperidinyl]cyclohexyl]acetic acid IUPAC Name: 2-methoxy-2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidin-1-yl]cyclohexyl]acetic acid Traditional Name: 2-methoxy-2-[4-[4-[2-(pyridazin-4-ylamino)ethyl]piperidino]cyclohexyl]acetic acid Formula: C20H32N4O3 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1CCC(CC1)N2CCC(CC2)CCNC3=CN=NC=C3)C(=O)O

Isomeric SMILES

COC(C1CCC(CC1)N2CCC(CC2)CCNC3=CN=NC=C3)C(=O)O

InChI

InChI=1S/C20H32N4O3/c1-27-19(20(25)26)16-2-4-18(5-3-16)24-12-8-15(9-13-24)6-10-21-17-7-11-22-23-14-17/h7,11,14-16,18-19H,2-6,8-10,12-13H2,1H3,(H,21,22)(H,25,26)