2-[3-ethoxy-1-[[3-(quinolin-2-ylmethoxy)-1,2-oxazol-5-yl]methyl]pyrazol-4-yl]propanoic acid

Systemtic Name: 2-[3-ethoxy-1-[[3-(quinolin-2-ylmethoxy)-1,2-oxazol-5-yl]methyl]pyrazol-4-yl]propanoic acid Openeye Name: 2-[3-ethoxy-1-[[3-(2-quinolylmethoxy)isoxazol-5-yl]methyl]pyrazol-4-yl]propanoic acid CAS Name: 2-[3-ethoxy-1-[[3-(2-quinolinylmethoxy)-5-isoxazolyl]methyl]-4-pyrazolyl]propanoic acid IUPAC Name: 2-[3-ethoxy-1-[[3-(quinolin-2-ylmethoxy)-1,2-oxazol-5-yl]methyl]pyrazol-4-yl]propanoic acid Traditional Name: 2-[3-ethoxy-1-[[3-(2-quinolylmethoxy)isoxazol-5-yl]methyl]pyrazol-4-yl]propionic acid Formula: C22H22N4O5 MolecularWeight: 422.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C=C1C(C)C(=O)O)CC2=CC(=NO2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=NN(C=C1C(C)C(=O)O)CC2=CC(=NO2)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22N4O5/c1-3-29-21-18(14(2)22(27)28)12-26(24-21)11-17-10-20(25-31-17)30-13-16-9-8-15-6-4-5-7-19(15)23-16/h4-10,12,14H,3,11,13H2,1-2H3,(H,27,28)