3-acetamido-5-[3-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridin-4-yl]benzoic acid

Systemtic Name: 3-acetamido-5-[3-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridin-4-yl]benzoic acid Openeye Name: 3-acetamido-5-[3-[2-benzyloxy-5-(trifluoromethyl)phenyl]-4-pyridyl]benzoic acid CAS Name: 3-acetamido-5-[3-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]-4-pyridinyl]benzoic acid IUPAC Name: 3-acetamido-5-[3-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridin-4-yl]benzoic acid Traditional Name: 3-acetamido-5-[3-[2-benzoxy-5-(trifluoromethyl)phenyl]-4-pyridyl]benzoic acid Formula: C28H21F3N2O4 MolecularWeight: 506.47255

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(C=NC=C2)C3=C(C=CC(=C3)C(F)(F)F)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(C=NC=C2)C3=C(C=CC(=C3)C(F)(F)F)OCC4=CC=CC=C4

InChI

InChI=1S/C28H21F3N2O4/c1-17(34)33-22-12-19(11-20(13-22)27(35)36)23-9-10-32-15-25(23)24-14-21(28(29,30)31)7-8-26(24)37-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,33,34)(H,35,36)