2-[[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid Openeye Name: 2-[[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]methyl]benzoic acid CAS Name: 2-[[4-isocyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid Traditional Name: 2-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]benzyl]benzoic acid Formula: C28H22N2O3 MolecularWeight: 434.48588

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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-])CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H22N2O3/c1-18(23-13-7-10-19-8-3-5-11-24(19)23)27(31)30-26-17-22(29-2)15-14-21(26)16-20-9-4-6-12-25(20)28(32)33/h3-15,17-18H,16H2,1H3,(H,30,31)(H,32,33)