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

Systemtic Name: butyl 3-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]benzoate Openeye Name: butyl 3-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]benzoate CAS Name: 3-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]benzoate Traditional Name: 3-[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(=CC=C1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

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

InChI

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