methyl 3-[2-[3-(quinoxalin-2-ylcarbonylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(quinoxalin-2-ylcarbonylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(quinoxaline-2-carbonylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo(2-quinoxalinyl)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(quinoxaline-2-carbonylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(quinoxaline-2-carbonylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C25H17N3O3 MolecularWeight: 407.42078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H17N3O3/c1-31-25(30)19-8-4-6-17(14-19)12-13-18-7-5-9-20(15-18)27-24(29)23-16-26-21-10-2-3-11-22(21)28-23/h2-11,14-16H,1H3,(H,27,29)