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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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