2-[3-phenyl-1-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]pyrazol-4-yl]propanoic acid

Systemtic Name: 2-[3-phenyl-1-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]pyrazol-4-yl]propanoic acid Openeye Name: 2-[3-phenyl-1-[[4-(2-quinolylmethoxy)phenyl]methyl]pyrazol-4-yl]propanoic acid CAS Name: 2-[3-phenyl-1-[[4-(2-quinolinylmethoxy)phenyl]methyl]-4-pyrazolyl]propanoic acid IUPAC Name: 2-[3-phenyl-1-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]pyrazol-4-yl]propanoic acid Traditional Name: 2-[3-phenyl-1-[4-(2-quinolylmethoxy)benzyl]pyrazol-4-yl]propionic acid Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(N=C1C2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

CC(C1=CN(N=C1C2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C29H25N3O3/c1-20(29(33)34)26-18-32(31-28(26)23-8-3-2-4-9-23)17-21-11-15-25(16-12-21)35-19-24-14-13-22-7-5-6-10-27(22)30-24/h2-16,18,20H,17,19H2,1H3,(H,33,34)