4-[[4-[2-(4-imidazol-1-ylphenyl)ethynyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-[[4-[2-(4-imidazol-1-ylphenyl)ethynyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[4-[2-(4-imidazol-1-ylphenyl)ethynyl]benzoyl]amino]butanoic acid CAS Name: 4-[[[4-[2-[4-(1-imidazolyl)phenyl]ethynyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[4-[2-(4-imidazol-1-ylphenyl)ethynyl]benzoyl]amino]butanoic acid Traditional Name: 4-[[4-[2-(4-imidazol-1-ylphenyl)ethynyl]benzoyl]amino]butyric acid Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC=C(C=C2)N3C=CN=C3)C(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC=C(C=C2)N3C=CN=C3)C(=O)NCCCC(=O)O

InChI

InChI=1S/C22H19N3O3/c26-21(27)2-1-13-24-22(28)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)25-15-14-23-16-25/h5-12,14-16H,1-2,13H2,(H,24,28)(H,26,27)