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

Systemtic Name: 2-[1-methoxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-methoxy-4-[4-[2-(4-pyridylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid CAS Name: 2-[1-methoxy-4-[4-[2-(pyridin-4-ylamino)ethyl]-1-piperazinyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-methoxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid Traditional Name: 2-[1-methoxy-4-[4-[2-(4-pyridylamino)ethyl]piperazino]cyclohexyl]acetic acid Formula: C20H32N4O3 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCC(CC1)N2CCN(CC2)CCNC3=CC=NC=C3)CC(=O)O

Isomeric SMILES

COC1(CCC(CC1)N2CCN(CC2)CCNC3=CC=NC=C3)CC(=O)O

InChI

InChI=1S/C20H32N4O3/c1-27-20(16-19(25)26)6-2-18(3-7-20)24-14-12-23(13-15-24)11-10-22-17-4-8-21-9-5-17/h4-5,8-9,18H,2-3,6-7,10-16H2,1H3,(H,21,22)(H,25,26)