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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)N3C=CN=C3)(C(=O)O)N

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)N3C=CN=C3)(C(=O)O)N

InChI

InChI=1S/C22H19N3O3/c1-2-22(23,21(27)28)20(26)18-9-5-16(6-10-18)3-4-17-7-11-19(12-8-17)25-14-13-24-15-25/h5-15H,2,23H2,1H3,(H,27,28)