2-[4-[8-(1,3-benzodioxol-5-yl)-1,7-naphthyridin-6-yl]cyclohexyl]oxyethanoic acid

Systemtic Name: 2-[4-[8-(1,3-benzodioxol-5-yl)-1,7-naphthyridin-6-yl]cyclohexyl]oxyethanoic acid Openeye Name: 2-[4-[8-(1,3-benzodioxol-5-yl)-1,7-naphthyridin-6-yl]cyclohexoxy]acetic acid CAS Name: 2-[4-[8-(1,3-benzodioxol-5-yl)-1,7-naphthyridin-6-yl]cyclohexyl]oxyacetic acid IUPAC Name: 2-[4-[8-(1,3-benzodioxol-5-yl)-1,7-naphthyridin-6-yl]cyclohexyl]oxyacetic acid Traditional Name: 2-[4-[8-(1,3-benzodioxol-5-yl)-1,7-naphthyridin-6-yl]cyclohexoxy]acetic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=NC(=C3C(=C2)C=CC=N3)C4=CC5=C(C=C4)OCO5)OCC(=O)O

Isomeric SMILES

C1CC(CCC1C2=NC(=C3C(=C2)C=CC=N3)C4=CC5=C(C=C4)OCO5)OCC(=O)O

InChI

InChI=1S/C23H22N2O5/c26-21(27)12-28-17-6-3-14(4-7-17)18-10-15-2-1-9-24-22(15)23(25-18)16-5-8-19-20(11-16)30-13-29-19/h1-2,5,8-11,14,17H,3-4,6-7,12-13H2,(H,26,27)