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

Systemtic Name: methyl 4-chloranyl-2-[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]benzoate Openeye Name: methyl 4-chloro-2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]benzoate CAS Name: 4-chloro-2-[[1-oxo-6-(4-oxo-3-quinazolinyl)hexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]benzoate Traditional Name: 4-chloro-2-[6-(4-ketoquinazolin-3-yl)hexanoylamino]benzoic acid methyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCCCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCCCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22ClN3O4/c1-30-22(29)17-11-10-15(23)13-19(17)25-20(27)9-3-2-6-12-26-14-24-18-8-5-4-7-16(18)21(26)28/h4-5,7-8,10-11,13-14H,2-3,6,9,12H2,1H3,(H,25,27)