5-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]pentanoic acid

Systemtic Name: 5-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]pentanoic acid Openeye Name: 5-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]pentanoic acid CAS Name: 5-[4-isocyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]pentanoic acid IUPAC Name: 5-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]pentanoic acid Traditional Name: 5-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]valeric acid Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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