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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO5/c1-14(2)13-29-22(26)15-5-8-17(9-6-15)24-21(25)10-7-16-11-19(27-3)20(28-4)12-18(16)23/h5-6,8-9,11-12,14H,7,10,13H2,1-4H3,(H,24,25)