(2-bromanyl-4,5-diethoxy-phenyl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C=CC2=NC3=CC=CC=C3O2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)/C=C/C2=NC3=CC=CC=C3O2)Br)OCC

InChI

InChI=1S/C21H20BrNO5/c1-3-25-18-11-14(15(22)12-19(18)26-4-2)13-27-21(24)10-9-20-23-16-7-5-6-8-17(16)28-20/h5-12H,3-4,13H2,1-2H3/b10-9+