2-[3-[5-fluoranyl-6-(pentylcarbamoylamino)naphthalen-2-yl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[5-fluoranyl-6-(pentylcarbamoylamino)naphthalen-2-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[5-fluoro-6-(pentylcarbamoylamino)-2-naphthyl]propanoylamino]benzoic acid CAS Name: 2-[[3-[5-fluoro-6-[[oxo-(pentylamino)methyl]amino]-2-naphthalenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[5-fluoro-6-(pentylcarbamoylamino)naphthalen-2-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[6-(amylcarbamoylamino)-5-fluoro-2-naphthyl]propanoylamino]benzoic acid Formula: C26H28FN3O4 MolecularWeight: 465.516623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=C(C2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O)F

Isomeric SMILES

CCCCCNC(=O)NC1=C(C2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O)F

InChI

InChI=1S/C26H28FN3O4/c1-2-3-6-15-28-26(34)30-22-13-11-18-16-17(9-12-19(18)24(22)27)10-14-23(31)29-21-8-5-4-7-20(21)25(32)33/h4-5,7-9,11-13,16H,2-3,6,10,14-15H2,1H3,(H,29,31)(H,32,33)(H2,28,30,34)