5-(6-fluoranylpyridin-3-yl)-2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid

Systemtic Name: 5-(6-fluoranylpyridin-3-yl)-2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 5-(6-fluoro-3-pyridyl)-2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid CAS Name: 5-(6-fluoro-3-pyridinyl)-2-[[3-[4-(4-hydroxyphenyl)phenyl]-1-oxopropyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 5-(6-fluoropyridin-3-yl)-2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid Traditional Name: 5-(6-fluoro-3-pyridyl)-2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid Formula: C27H25FN2O4 MolecularWeight: 460.496803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(CC1C2=CN=C(C=C2)F)C(=O)O)NC(=O)CCC3=CC=C(C=C3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CC(=C(CC1C2=CN=C(C=C2)F)C(=O)O)NC(=O)CCC3=CC=C(C=C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C27H25FN2O4/c28-25-13-9-21(16-29-25)20-8-12-24(23(15-20)27(33)34)30-26(32)14-3-17-1-4-18(5-2-17)19-6-10-22(31)11-7-19/h1-2,4-7,9-11,13,16,20,31H,3,8,12,14-15H2,(H,30,32)(H,33,34)