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

Systemtic Name: [4-(propanoylamino)phenyl] 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: [4-(propanoylamino)phenyl] 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid [4-(1-oxopropylamino)phenyl] ester IUPAC Name: [4-(propanoylamino)phenyl] 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid (4-propionamidophenyl) ester Formula: C24H22BrNO4 MolecularWeight: 468.33978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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