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

Systemtic Name: methyl 3-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]benzoate Openeye Name: methyl 3-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]benzoate CAS Name: 3-[[1-oxo-4-(4-oxo-1H-quinazolin-2-yl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]benzoate Traditional Name: 3-[4-(4-keto-1H-quinazolin-2-yl)butanoylamino]benzoic acid methyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H19N3O4/c1-27-20(26)13-6-4-7-14(12-13)21-18(24)11-5-10-17-22-16-9-3-2-8-15(16)19(25)23-17/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,24)(H,22,23,25)