2-[6-bromanyl-2-[4-(diethoxyphosphorylmethyl)phenyl]quinazolin-4-yl]oxyethanoic acid

Systemtic Name: 2-[6-bromanyl-2-[4-(diethoxyphosphorylmethyl)phenyl]quinazolin-4-yl]oxyethanoic acid Openeye Name: 2-[6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]quinazolin-4-yl]oxyacetic acid CAS Name: 2-[[6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-quinazolinyl]oxy]acetic acid IUPAC Name: 2-[6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]quinazolin-4-yl]oxyacetic acid Traditional Name: 2-[6-bromo-2-[4-(diethoxyphosphorylmethyl)phenyl]quinazolin-4-yl]oxyacetic 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(=N2)OCC(=O)O)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=N2)OCC(=O)O)OCC

InChI

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