methyl 4-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]benzoate Traditional Name: 4-[3-(4-keto-1H-quinazolin-2-yl)propanoylamino]benzoic acid methyl ester Formula: C19H17N3O4 MolecularWeight: 351.35598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H17N3O4/c1-26-19(25)12-6-8-13(9-7-12)20-17(23)11-10-16-21-15-5-3-2-4-14(15)18(24)22-16/h2-9H,10-11H2,1H3,(H,20,23)(H,21,22,24)