2-[3-(5-fluoranyl-6-oxidanyl-naphthalen-2-yl)butanoylamino]benzoic acid

Systemtic Name: 2-[3-(5-fluoranyl-6-oxidanyl-naphthalen-2-yl)butanoylamino]benzoic acid Openeye Name: 2-[3-(5-fluoro-6-hydroxy-2-naphthyl)butanoylamino]benzoic acid CAS Name: 2-[[3-(5-fluoro-6-hydroxy-2-naphthalenyl)-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[3-(5-fluoro-6-hydroxynaphthalen-2-yl)butanoylamino]benzoic acid Traditional Name: 2-[3-(5-fluoro-6-hydroxy-2-naphthyl)butanoylamino]benzoic acid Formula: C21H18FNO4 MolecularWeight: 367.370323

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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)O)F

Isomeric SMILES

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

InChI

InChI=1S/C21H18FNO4/c1-12(10-19(25)23-17-5-3-2-4-16(17)21(26)27)13-6-8-15-14(11-13)7-9-18(24)20(15)22/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27)