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

Systemtic Name: propan-2-yl 4-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]benzoate Openeye Name: isopropyl 4-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]benzoate CAS Name: 4-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]benzoate Traditional Name: 4-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]benzoic acid isopropyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO5/c1-13(2)28-21(25)14-5-8-16(9-6-14)23-20(24)10-7-15-11-18(26-3)19(27-4)12-17(15)22/h5-6,8-9,11-13H,7,10H2,1-4H3,(H,23,24)