2-[3-(6-fluoranylnaphthalen-2-yl)butanoylamino]benzoic acid

Systemtic Name: 2-[3-(6-fluoranylnaphthalen-2-yl)butanoylamino]benzoic acid Openeye Name: 2-[3-(6-fluoro-2-naphthyl)butanoylamino]benzoic acid CAS Name: 2-[[3-(6-fluoro-2-naphthalenyl)-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[3-(6-fluoronaphthalen-2-yl)butanoylamino]benzoic acid Traditional Name: 2-[3-(6-fluoro-2-naphthyl)butanoylamino]benzoic acid Formula: C21H18FNO3 MolecularWeight: 351.370923

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=C(C=C2)C=C(C=C3)F

Isomeric SMILES

CC(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=C(C=C2)C=C(C=C3)F

InChI

InChI=1S/C21H18FNO3/c1-13(14-6-7-16-12-17(22)9-8-15(16)11-14)10-20(24)23-19-5-3-2-4-18(19)21(25)26/h2-9,11-13H,10H2,1H3,(H,23,24)(H,25,26)