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

Systemtic Name: 4-[4-cyano-2-[2-(4-methylnaphthalen-1-yl)propanoylamino]phenyl]butanoic acid Openeye Name: 4-[4-cyano-2-[2-(4-methyl-1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-cyano-2-[[2-(4-methyl-1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-cyano-2-[2-(4-methylnaphthalen-1-yl)propanoylamino]phenyl]butanoic acid Traditional Name: 4-[4-cyano-2-[2-(4-methyl-1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)C(C)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)C(C)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O

InChI

InChI=1S/C25H24N2O3/c1-16-10-13-21(22-8-4-3-7-20(16)22)17(2)25(30)27-23-14-18(15-26)11-12-19(23)6-5-9-24(28)29/h3-4,7-8,10-14,17H,5-6,9H2,1-2H3,(H,27,30)(H,28,29)