4-[2-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]butanoic acid

Systemtic Name: 4-[2-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]butanoic acid Openeye Name: 4-[2-(4-oxoquinazolin-3-yl)hexanoylamino]butanoic acid CAS Name: 4-[[1-oxo-2-(4-oxo-3-quinazolinyl)hexyl]amino]butanoic acid IUPAC Name: 4-[2-(4-oxoquinazolin-3-yl)hexanoylamino]butanoic acid Traditional Name: 4-[2-(4-ketoquinazolin-3-yl)hexanoylamino]butyric acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCCC(=O)O)N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CCCCC(C(=O)NCCCC(=O)O)N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C18H23N3O4/c1-2-3-9-15(17(24)19-11-6-10-16(22)23)21-12-20-14-8-5-4-7-13(14)18(21)25/h4-5,7-8,12,15H,2-3,6,9-11H2,1H3,(H,19,24)(H,22,23)