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

Systemtic Name: 2-[2-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[2-(4-oxoquinazolin-3-yl)hexanoylamino]-2-phenyl-acetic acid CAS Name: 2-[[1-oxo-2-(4-oxo-3-quinazolinyl)hexyl]amino]-2-phenylacetic acid IUPAC Name: 2-[2-(4-oxoquinazolin-3-yl)hexanoylamino]-2-phenylacetic acid Traditional Name: 2-[2-(4-ketoquinazolin-3-yl)hexanoylamino]-2-phenyl-acetic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(C1=CC=CC=C1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC(C(=O)NC(C1=CC=CC=C1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O4/c1-2-3-13-18(25-14-23-17-12-8-7-11-16(17)21(25)27)20(26)24-19(22(28)29)15-9-5-4-6-10-15/h4-12,14,18-19H,2-3,13H2,1H3,(H,24,26)(H,28,29)