[3-(propanoylamino)phenyl] 3-bromanyl-4-(2-methylpropoxy)benzoate

Systemtic Name: [3-(propanoylamino)phenyl] 3-bromanyl-4-(2-methylpropoxy)benzoate Openeye Name: [3-(propanoylamino)phenyl] 3-bromo-4-isobutoxy-benzoate CAS Name: 3-bromo-4-(2-methylpropoxy)benzoic acid [3-(1-oxopropylamino)phenyl] ester IUPAC Name: [3-(propanoylamino)phenyl] 3-bromo-4-(2-methylpropoxy)benzoate Traditional Name: 3-bromo-4-isobutoxy-benzoic acid (3-propionamidophenyl) ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC(=C(C=C2)OCC(C)C)Br

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC(=C(C=C2)OCC(C)C)Br

InChI

InChI=1S/C20H22BrNO4/c1-4-19(23)22-15-6-5-7-16(11-15)26-20(24)14-8-9-18(17(21)10-14)25-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,23)