(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=C(OC(=N2)C3=CC=CC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=C(OC(=N2)C3=CC=CC=C3)C)OC

InChI

InChI=1S/C21H20BrNO5/c1-4-26-19-16(22)10-15(11-18(19)25-3)21(24)27-12-17-13(2)28-20(23-17)14-8-6-5-7-9-14/h5-11H,4,12H2,1-3H3