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

Systemtic Name: 4-[4-isocyano-2-[2-(2-methoxynaphthalen-1-yl)propanoylamino]phenyl]butanoic acid Openeye Name: 4-[4-isocyano-2-[2-(2-methoxy-1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-isocyano-2-[[2-(2-methoxy-1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-isocyano-2-[2-(2-methoxynaphthalen-1-yl)propanoylamino]phenyl]butanoic acid Traditional Name: 4-[4-isocyano-2-[2-(2-methoxy-1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC2=CC=CC=C21)OC)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)O

Isomeric SMILES

CC(C1=C(C=CC2=CC=CC=C21)OC)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)O

InChI

InChI=1S/C25H24N2O4/c1-16(24-20-9-5-4-7-17(20)12-14-22(24)31-3)25(30)27-21-15-19(26-2)13-11-18(21)8-6-10-23(28)29/h4-5,7,9,11-16H,6,8,10H2,1,3H3,(H,27,30)(H,28,29)