2-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-4-carboxylic acid

Systemtic Name: 2-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-4-carboxylic acid Openeye Name: 2-[2-[2-benzyloxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-4-carboxylic acid CAS Name: 2-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]-1-cyclopentenyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-4-carboxylic acid Traditional Name: 2-[2-[2-benzoxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]isonicotinic acid Formula: C25H20F3NO3 MolecularWeight: 439.42641

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C2=NC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)C(F)(F)F)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(=C(C1)C2=NC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)C(F)(F)F)OCC4=CC=CC=C4

InChI

InChI=1S/C25H20F3NO3/c26-25(27,28)18-9-10-23(32-15-16-5-2-1-3-6-16)21(14-18)19-7-4-8-20(19)22-13-17(24(30)31)11-12-29-22/h1-3,5-6,9-14H,4,7-8,15H2,(H,30,31)