2-(phenylmethyl)-2-(1H-pyrazol-4-yl)-3-[6-(quinolin-2-ylmethoxy)pyridin-3-yl]propanoic acid

Systemtic Name: 2-(phenylmethyl)-2-(1H-pyrazol-4-yl)-3-[6-(quinolin-2-ylmethoxy)pyridin-3-yl]propanoic acid Openeye Name: 2-benzyl-2-(1H-pyrazol-4-yl)-3-[6-(2-quinolylmethoxy)-3-pyridyl]propanoic acid CAS Name: 2-(phenylmethyl)-2-(1H-pyrazol-4-yl)-3-[6-(2-quinolinylmethoxy)-3-pyridinyl]propanoic acid IUPAC Name: 2-benzyl-2-(1H-pyrazol-4-yl)-3-[6-(quinolin-2-ylmethoxy)pyridin-3-yl]propanoic acid Traditional Name: 2-benzyl-2-(1H-pyrazol-4-yl)-3-[6-(2-quinolylmethoxy)-3-pyridyl]propionic acid Formula: C28H24N4O3 MolecularWeight: 464.51516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CN=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)(C5=CNN=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CN=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)(C5=CNN=C5)C(=O)O

InChI

InChI=1S/C28H24N4O3/c33-27(34)28(23-17-30-31-18-23,14-20-6-2-1-3-7-20)15-21-10-13-26(29-16-21)35-19-24-12-11-22-8-4-5-9-25(22)32-24/h1-13,16-18H,14-15,19H2,(H,30,31)(H,33,34)