5-bromanyl-2-(4-phenylbutanoylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(4-phenylbutanoylamino)benzoic acid Openeye Name: 5-bromo-2-(4-phenylbutanoylamino)benzoic acid CAS Name: 5-bromo-2-[(1-oxo-4-phenylbutyl)amino]benzoic acid IUPAC Name: 5-bromo-2-(4-phenylbutanoylamino)benzoic acid Traditional Name: 5-bromo-2-(4-phenylbutanoylamino)benzoic acid Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H16BrNO3/c18-13-9-10-15(14(11-13)17(21)22)19-16(20)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,19,20)(H,21,22)