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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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