methyl 3-(2-bromanylethanoylamino)-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-(2-bromanylethanoylamino)-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[(2-bromoacetyl)amino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[(2-bromo-1-oxoethyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[(2-bromoacetyl)amino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[(2-bromoacetyl)amino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C14H18BrNO5 MolecularWeight: 360.20042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CBr)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CBr)OC

InChI

InChI=1S/C14H18BrNO5/c1-19-11-5-4-9(6-12(11)20-2)10(7-14(18)21-3)16-13(17)8-15/h4-6,10H,7-8H2,1-3H3,(H,16,17)