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

Systemtic Name: 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-isocyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C24H22N2O3 MolecularWeight: 386.44308

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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-])CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O3/c1-16(20-11-5-8-17-7-3-4-10-21(17)20)24(29)26-22-15-19(25-2)14-13-18(22)9-6-12-23(27)28/h3-5,7-8,10-11,13-16H,6,9,12H2,1H3,(H,26,29)(H,27,28)