8-[(3-bromophenyl)carbonylamino]octanoic acid

Systemtic Name: 8-[(3-bromophenyl)carbonylamino]octanoic acid Openeye Name: 8-[(3-bromobenzoyl)amino]octanoic acid CAS Name: 8-[[(3-bromophenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(3-bromobenzoyl)amino]octanoic acid Traditional Name: 8-[(3-bromobenzoyl)amino]caprylic acid Formula: C15H20BrNO3 MolecularWeight: 342.2282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C15H20BrNO3/c16-13-8-6-7-12(11-13)15(20)17-10-5-3-1-2-4-9-14(18)19/h6-8,11H,1-5,9-10H2,(H,17,20)(H,18,19)