3-(2-ethylphenyl)-2-(1H-pyrazol-4-yl)-3-(quinolin-2-ylmethoxy)propanoic acid

Systemtic Name: 3-(2-ethylphenyl)-2-(1H-pyrazol-4-yl)-3-(quinolin-2-ylmethoxy)propanoic acid Openeye Name: 3-(2-ethylphenyl)-2-(1H-pyrazol-4-yl)-3-(2-quinolylmethoxy)propanoic acid CAS Name: 3-(2-ethylphenyl)-2-(1H-pyrazol-4-yl)-3-(2-quinolinylmethoxy)propanoic acid IUPAC Name: 3-(2-ethylphenyl)-2-(1H-pyrazol-4-yl)-3-(quinolin-2-ylmethoxy)propanoic acid Traditional Name: 3-(2-ethylphenyl)-2-(1H-pyrazol-4-yl)-3-(2-quinolylmethoxy)propionic acid Formula: C24H23N3O3 MolecularWeight: 401.45772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(C(C2=CNN=C2)C(=O)O)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC1=CC=CC=C1C(C(C2=CNN=C2)C(=O)O)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H23N3O3/c1-2-16-7-3-5-9-20(16)23(22(24(28)29)18-13-25-26-14-18)30-15-19-12-11-17-8-4-6-10-21(17)27-19/h3-14,22-23H,2,15H2,1H3,(H,25,26)(H,28,29)