4-oxidanylidene-4-[[2-(2-phenylethynyl)phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[2-(2-phenylethynyl)phenyl]amino]butanoic acid Openeye Name: 4-oxo-4-[2-(2-phenylethynyl)anilino]butanoic acid CAS Name: 4-oxo-4-[2-(2-phenylethynyl)anilino]butanoic acid IUPAC Name: 4-oxo-4-[2-(2-phenylethynyl)anilino]butanoic acid Traditional Name: 4-keto-4-[2-(2-phenylethynyl)anilino]butyric acid Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=O)CCC(=O)O

InChI

InChI=1S/C18H15NO3/c20-17(12-13-18(21)22)19-16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-9H,12-13H2,(H,19,20)(H,21,22)