(2,3,6-trimethylphenyl) 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoate Openeye Name: (2,3,6-trimethylphenyl) 3-(6-bromo-4-oxo-quinazolin-3-yl)propanoate CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)propanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)propionic acid (2,3,6-trimethylphenyl) ester Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)C

InChI

InChI=1S/C20H19BrN2O3/c1-12-4-5-13(2)19(14(12)3)26-18(24)8-9-23-11-22-17-7-6-15(21)10-16(17)20(23)25/h4-7,10-11H,8-9H2,1-3H3