methyl 3-[2-[3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H19N3O4 MolecularWeight: 437.44676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H19N3O4/c1-33-26(32)20-8-4-6-18(14-20)12-13-19-7-5-9-21(15-19)28-24(30)16-29-17-27-23-11-3-2-10-22(23)25(29)31/h2-11,14-15,17H,16H2,1H3,(H,28,30)