[3-(propanoylamino)phenyl] 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: [3-(propanoylamino)phenyl] 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: [3-(propanoylamino)phenyl] 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid [3-(1-oxopropylamino)phenyl] ester IUPAC Name: [3-(propanoylamino)phenyl] 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid (3-propionamidophenyl) ester Formula: C24H22BrNO4 MolecularWeight: 468.33978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H22BrNO4/c1-2-23(27)26-19-9-6-10-20(16-19)30-24(28)21-15-18(25)11-12-22(21)29-14-13-17-7-4-3-5-8-17/h3-12,15-16H,2,13-14H2,1H3,(H,26,27)