propyl 3-[2-(2-bromanyl-6-ethoxy-4-methanoyl-phenoxy)ethanoylamino]benzoate

Systemtic Name: propyl 3-[2-(2-bromanyl-6-ethoxy-4-methanoyl-phenoxy)ethanoylamino]benzoate Openeye Name: propyl 3-[[2-(2-bromo-6-ethoxy-4-formyl-phenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(2-bromo-6-ethoxy-4-formylphenoxy)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[[2-(2-bromo-6-ethoxy-4-formylphenoxy)acetyl]amino]benzoate Traditional Name: 3-[[2-(2-bromo-6-ethoxy-4-formyl-phenoxy)acetyl]amino]benzoic acid propyl ester Formula: C21H22BrNO6 MolecularWeight: 464.30648

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2Br)C=O)OCC

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2Br)C=O)OCC

InChI

InChI=1S/C21H22BrNO6/c1-3-8-28-21(26)15-6-5-7-16(11-15)23-19(25)13-29-20-17(22)9-14(12-24)10-18(20)27-4-2/h5-7,9-12H,3-4,8,13H2,1-2H3,(H,23,25)