methyl 5-bromanyl-2-[3-(4-methoxyphenyl)propanoylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[3-(4-methoxyphenyl)propanoylamino]benzoate Openeye Name: methyl 5-bromo-2-[3-(4-methoxyphenyl)propanoylamino]benzoate CAS Name: 5-bromo-2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[3-(4-methoxyphenyl)propanoylamino]benzoate Traditional Name: 5-bromo-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid methyl ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO4/c1-23-14-7-3-12(4-8-14)5-10-17(21)20-16-9-6-13(19)11-15(16)18(22)24-2/h3-4,6-9,11H,5,10H2,1-2H3,(H,20,21)