methyl 2-[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]benzoate

Systemtic Name: methyl 2-[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]benzoate Openeye Name: methyl 2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]benzoate CAS Name: 2-[[1-oxo-6-(4-oxo-3-quinazolinyl)hexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]benzoate Traditional Name: 2-[6-(4-ketoquinazolin-3-yl)hexanoylamino]benzoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCCCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCCCCN2C=NC3=CC=CC=C3C2=O

InChI

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