5-fluoranyl-2-[[(E)-3-(6-methylnaphthalen-2-yl)but-2-enoyl]amino]benzoic acid

Systemtic Name: 5-fluoranyl-2-[[(E)-3-(6-methylnaphthalen-2-yl)but-2-enoyl]amino]benzoic acid Openeye Name: 5-fluoro-2-[[(E)-3-(6-methyl-2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 5-fluoro-2-[[(E)-3-(6-methyl-2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 5-fluoro-2-[[(E)-3-(6-methylnaphthalen-2-yl)but-2-enoyl]amino]benzoic acid Traditional Name: 5-fluoro-2-[[(E)-3-(6-methyl-2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C22H18FNO3 MolecularWeight: 363.381623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C=C2)C(=CC(=O)NC3=C(C=C(C=C3)F)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C=C2)/C(=C/C(=O)NC3=C(C=C(C=C3)F)C(=O)O)/C

InChI

InChI=1S/C22H18FNO3/c1-13-3-4-17-11-15(5-6-16(17)9-13)14(2)10-21(25)24-20-8-7-18(23)12-19(20)22(26)27/h3-12H,1-2H3,(H,24,25)(H,26,27)/b14-10+