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

Systemtic Name: 4-(2-fluoranylpyridin-3-yl)-2-[3-(6-oxidanylnaphthalen-2-yl)propanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 4-(2-fluoro-3-pyridyl)-2-[3-(6-hydroxy-2-naphthyl)propanoylamino]cyclohexene-1-carboxylic acid CAS Name: 4-(2-fluoro-3-pyridinyl)-2-[[3-(6-hydroxy-2-naphthalenyl)-1-oxopropyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 4-(2-fluoropyridin-3-yl)-2-[3-(6-hydroxynaphthalen-2-yl)propanoylamino]cyclohexene-1-carboxylic acid Traditional Name: 4-(2-fluoro-3-pyridyl)-2-[3-(6-hydroxy-2-naphthyl)propanoylamino]cyclohexene-1-carboxylic acid Formula: C25H23FN2O4 MolecularWeight: 434.459523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(CC1C2=C(N=CC=C2)F)NC(=O)CCC3=CC4=C(C=C3)C=C(C=C4)O)C(=O)O

Isomeric SMILES

C1CC(=C(CC1C2=C(N=CC=C2)F)NC(=O)CCC3=CC4=C(C=C3)C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C25H23FN2O4/c26-24-20(2-1-11-27-24)18-7-9-21(25(31)32)22(14-18)28-23(30)10-4-15-3-5-17-13-19(29)8-6-16(17)12-15/h1-3,5-6,8,11-13,18,29H,4,7,9-10,14H2,(H,28,30)(H,31,32)