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

Systemtic Name: 2-methoxy-2-[1-oxidanyl-4-[4-[4-(pyridin-4-ylamino)butyl]piperidin-1-yl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-hydroxy-4-[4-[4-(4-pyridylamino)butyl]-1-piperidyl]cyclohexyl]-2-methoxy-acetic acid CAS Name: 2-[1-hydroxy-4-[4-[4-(pyridin-4-ylamino)butyl]-1-piperidinyl]cyclohexyl]-2-methoxyacetic acid IUPAC Name: 2-[1-hydroxy-4-[4-[4-(pyridin-4-ylamino)butyl]piperidin-1-yl]cyclohexyl]-2-methoxyacetic acid Traditional Name: 2-[1-hydroxy-4-[4-[4-(4-pyridylamino)butyl]piperidino]cyclohexyl]-2-methoxy-acetic acid Formula: C23H37N3O4 MolecularWeight: 419.55758

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)O)C1(CCC(CC1)N2CCC(CC2)CCCCNC3=CC=NC=C3)O

Isomeric SMILES

COC(C(=O)O)C1(CCC(CC1)N2CCC(CC2)CCCCNC3=CC=NC=C3)O

InChI

InChI=1S/C23H37N3O4/c1-30-21(22(27)28)23(29)11-5-20(6-12-23)26-16-9-18(10-17-26)4-2-3-13-25-19-7-14-24-15-8-19/h7-8,14-15,18,20-21,29H,2-6,9-13,16-17H2,1H3,(H,24,25)(H,27,28)