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

Systemtic Name: methyl 3-[2-[3-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[4-(4-ketoquinazolin-3-yl)butanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C28H23N3O4 MolecularWeight: 465.49992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C28H23N3O4/c1-35-28(34)22-9-4-7-20(17-22)14-15-21-8-5-10-23(18-21)30-26(32)13-6-16-31-19-29-25-12-3-2-11-24(25)27(31)33/h2-5,7-12,17-19H,6,13,16H2,1H3,(H,30,32)