4-bromanylbenzamide; 4-phenylbutanoic acid

Systemtic Name: 4-bromanylbenzamide; 4-phenylbutanoic acid Openeye Name: 4-bromobenzamide; 4-phenylbutanoic acid CAS Name: 4-bromobenzamide; 4-phenylbutanoic acid IUPAC Name: 4-bromobenzamide; 4-phenylbutanoic acid Traditional Name: 4-bromobenzamide; 4-phenylbutyric acid Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)O.C1=CC(=CC=C1C(=O)N)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)O.C1=CC(=CC=C1C(=O)N)Br

InChI

InChI=1S/C10H12O2.C7H6BrNO/c11-10(12)8-4-7-9-5-2-1-3-6-9;8-6-3-1-5(2-4-6)7(9)10/h1-3,5-6H,4,7-8H2,(H,11,12);1-4H,(H2,9,10)