methyl 4-[2-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C20H18BrNO6 MolecularWeight: 448.26402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H18BrNO6/c1-26-17-9-6-15(21)11-14(17)5-10-19(24)28-12-18(23)22-16-7-3-13(4-8-16)20(25)27-2/h3-11H,12H2,1-2H3,(H,22,23)/b10-5+