4-[2-[2-(4-fluoranylnaphthalen-1-yl)propanoylamino]-4-isocyano-phenyl]butanoic acid

Systemtic Name: 4-[2-[2-(4-fluoranylnaphthalen-1-yl)propanoylamino]-4-isocyano-phenyl]butanoic acid Openeye Name: 4-[2-[2-(4-fluoro-1-naphthyl)propanoylamino]-4-isocyano-phenyl]butanoic acid CAS Name: 4-[2-[[2-(4-fluoro-1-naphthalenyl)-1-oxopropyl]amino]-4-isocyanophenyl]butanoic acid IUPAC Name: 4-[2-[2-(4-fluoronaphthalen-1-yl)propanoylamino]-4-isocyanophenyl]butanoic acid Traditional Name: 4-[2-[2-(4-fluoro-1-naphthyl)propanoylamino]-4-isocyano-phenyl]butyric acid Formula: C24H21FN2O3 MolecularWeight: 404.433543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C2=CC=CC=C21)F)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)O

Isomeric SMILES

CC(C1=CC=C(C2=CC=CC=C21)F)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)O

InChI

InChI=1S/C24H21FN2O3/c1-15(18-12-13-21(25)20-8-4-3-7-19(18)20)24(30)27-22-14-17(26-2)11-10-16(22)6-5-9-23(28)29/h3-4,7-8,10-15H,5-6,9H2,1H3,(H,27,30)(H,28,29)