2-[6-bromanyl-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxidanylidene-quinazolin-3-yl]ethanoic acid

Systemtic Name: 2-[6-bromanyl-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxidanylidene-quinazolin-3-yl]ethanoic acid Openeye Name: 2-[6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxo-quinazolin-3-yl]acetic acid CAS Name: 2-[6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxo-3-quinazolinyl]acetic acid IUPAC Name: 2-[6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxoquinazolin-3-yl]acetic acid Traditional Name: 2-[6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-keto-quinazolin-3-yl]acetic acid Formula: C21H22BrN2O6P MolecularWeight: 509.286941

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(=O)O)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(=O)O)OCC

InChI

InChI=1S/C21H22BrN2O6P/c1-3-29-31(28,30-4-2)13-14-5-7-15(8-6-14)20-23-18-10-9-16(22)11-17(18)21(27)24(20)12-19(25)26/h5-11H,3-4,12-13H2,1-2H3,(H,25,26)