(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-(8-methyl-4-oxo-quinazolin-3-yl)butanoate CAS Name: 4-(8-methyl-4-oxo-3-quinazolinyl)butanoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-(8-methyl-4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-keto-8-methyl-quinazolin-3-yl)butyric acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C22H20BrN3O4 MolecularWeight: 470.3159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCCN2C=NC3=C(C2=O)C=CC=C3C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCCN2C=NC3=C(C2=O)C=CC=C3C

InChI

InChI=1S/C22H20BrN3O4/c1-3-29-18-11-15(12-24)10-17(23)21(18)30-19(27)8-5-9-26-13-25-20-14(2)6-4-7-16(20)22(26)28/h4,6-7,10-11,13H,3,5,8-9H2,1-2H3