6-[2-(4-oxidanylidenequinazolin-3-yl)propanoylamino]hexanoic acid

Systemtic Name: 6-[2-(4-oxidanylidenequinazolin-3-yl)propanoylamino]hexanoic acid Openeye Name: 6-[2-(4-oxoquinazolin-3-yl)propanoylamino]hexanoic acid CAS Name: 6-[[1-oxo-2-(4-oxo-3-quinazolinyl)propyl]amino]hexanoic acid IUPAC Name: 6-[2-(4-oxoquinazolin-3-yl)propanoylamino]hexanoic acid Traditional Name: 6-[2-(4-ketoquinazolin-3-yl)propanoylamino]hexanoic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCCCC(=O)O)N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C(=O)NCCCCCC(=O)O)N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H21N3O4/c1-12(16(23)18-10-6-2-3-9-15(21)22)20-11-19-14-8-5-4-7-13(14)17(20)24/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3,(H,18,23)(H,21,22)