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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H20BrNO6/c1-13-4-5-15(21(26)28-3)11-17(13)23-19(24)12-29-20(25)9-6-14-10-16(22)7-8-18(14)27-2/h4-11H,12H2,1-3H3,(H,23,24)/b9-6+