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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C2=CC=CC=C21)F)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=C(C2=CC=CC=C21)F)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O

InChI

InChI=1S/C24H21FN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)