6-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid

Systemtic Name: 6-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid Openeye Name: 6-[2-[2-benzyloxy-5-(trifluoromethyl)phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid CAS Name: 6-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]-1-cyclohexenyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclohexen-1-yl]pyridine-2-carboxylic acid Traditional Name: 6-[2-[2-benzoxy-5-(trifluoromethyl)phenyl]cyclohexen-1-yl]picolinic acid Formula: C26H22F3NO3 MolecularWeight: 453.45299

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C2=NC(=CC=C2)C(=O)O)C3=C(C=CC(=C3)C(F)(F)F)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(=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/C26H22F3NO3/c27-26(28,29)18-13-14-24(33-16-17-7-2-1-3-8-17)21(15-18)19-9-4-5-10-20(19)22-11-6-12-23(30-22)25(31)32/h1-3,6-8,11-15H,4-5,9-10,16H2,(H,31,32)