(3-bromanyl-4-methoxy-phenyl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid (3-bromo-4-methoxy-benzyl) ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CCNC(=O)C=CC2=CC=CC=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CCNC(=O)/C=C/C2=CC=CC=C2)Br

InChI

InChI=1S/C20H20BrNO4/c1-25-18-9-7-16(13-17(18)21)14-26-20(24)11-12-22-19(23)10-8-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,22,23)/b10-8+