4-fluoranyl-5-imidazol-1-yl-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-fluoranyl-5-imidazol-1-yl-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-fluoro-5-imidazol-1-yl-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-fluoro-5-(1-imidazolyl)-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-fluoro-5-imidazol-1-yl-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-fluoro-5-imidazol-1-yl-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C24H18FN3O3 MolecularWeight: 415.416423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC(=C(C=C1C(=O)O)N2C=CN=C2)F)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=CC(=C(C=C1C(=O)O)N2C=CN=C2)F)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H18FN3O3/c1-15(17-7-6-16-4-2-3-5-18(16)11-17)10-23(29)27-21-13-20(25)22(12-19(21)24(30)31)28-9-8-26-14-28/h2-14H,1H3,(H,27,29)(H,30,31)/b15-10-