(5-bromanyl-2-methoxy-phenyl)methyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-propenoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]acrylic acid (5-bromo-2-methoxy-benzyl) ester Formula: C20H20BrNO6 MolecularWeight: 450.2799

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)C=CC2=CC(=C(C=C2)OCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)/C=C/C2=CC(=C(C=C2)OCC(=O)N)OC

InChI

InChI=1S/C20H20BrNO6/c1-25-16-7-5-15(21)10-14(16)11-28-20(24)8-4-13-3-6-17(18(9-13)26-2)27-12-19(22)23/h3-10H,11-12H2,1-2H3,(H2,22,23)/b8-4+