butyl 4-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]benzoate Openeye Name: butyl 4-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]benzoate CAS Name: 4-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]benzoate Traditional Name: 4-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]benzoic acid butyl ester Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C22H26BrNO5/c1-4-5-12-29-22(26)15-6-9-17(10-7-15)24-21(25)11-8-16-13-19(27-2)20(28-3)14-18(16)23/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,24,25)