ethyl 4-[(2R)-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2R)-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2R)-3-(6-bromo-4-oxo-quinazolin-3-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2R)-3-(6-bromo-4-oxo-3-quinazolinyl)-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2R)-3-(6-bromo-4-keto-quinazolin-3-yl)-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN2C=NC3=C(C2=O)C=C(C=C3)Br)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CN2C=NC3=C(C2=O)C=C(C=C3)Br)O

InChI

InChI=1S/C20H19BrN2O5/c1-2-27-20(26)13-3-6-16(7-4-13)28-11-15(24)10-23-12-22-18-8-5-14(21)9-17(18)19(23)25/h3-9,12,15,24H,2,10-11H2,1H3/t15-/m1/s1