4-oxidanylidene-4-[[2-(2-phenylethynyl)phenyl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[2-(2-phenylethynyl)phenyl]amino]butanoate Openeye Name: 4-oxo-4-[2-(2-phenylethynyl)anilino]butanoate CAS Name: 4-oxo-4-[2-(2-phenylethynyl)anilino]butanoate IUPAC Name: 4-oxo-4-[2-(2-phenylethynyl)anilino]butanoate Traditional Name: 4-keto-4-[2-(2-phenylethynyl)anilino]butyrate Formula: C18H14NO3- MolecularWeight: 292.30866

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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)/p-1