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

Systemtic Name: methyl 4-[[2-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C21H20BrNO6 MolecularWeight: 462.2906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H20BrNO6/c1-27-18-9-8-17(22)11-16(18)7-10-20(25)29-13-19(24)23-12-14-3-5-15(6-4-14)21(26)28-2/h3-11H,12-13H2,1-2H3,(H,23,24)/b10-7+