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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C17H21N3O4/c21-15(18-10-5-1-2-8-16(22)23)9-11-20-12-19-14-7-4-3-6-13(14)17(20)24/h3-4,6-7,12H,1-2,5,8-11H2,(H,18,21)(H,22,23)