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

Systemtic Name: 4-[4-isocyano-2-[2-(4-methylnaphthalen-1-yl)propanoylamino]phenyl]butanoic acid Openeye Name: 4-[4-isocyano-2-[2-(4-methyl-1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-isocyano-2-[[2-(4-methyl-1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-isocyano-2-[2-(4-methylnaphthalen-1-yl)propanoylamino]phenyl]butanoic acid Traditional Name: 4-[4-isocyano-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)[N+]#[C-])CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)C(C)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)O

InChI

InChI=1S/C25H24N2O3/c1-16-11-14-21(22-9-5-4-8-20(16)22)17(2)25(30)27-23-15-19(26-3)13-12-18(23)7-6-10-24(28)29/h4-5,8-9,11-15,17H,6-7,10H2,1-2H3,(H,27,30)(H,28,29)