2-(azepan-1-yl)-4-bromanyl-benzoic acid

Systemtic Name: 2-(azepan-1-yl)-4-bromanyl-benzoic acid Openeye Name: 2-(azepan-1-yl)-4-bromo-benzoic acid CAS Name: 2-(1-azepanyl)-4-bromobenzoic acid IUPAC Name: 2-(azepan-1-yl)-4-bromobenzoic acid Traditional Name: 2-(azepan-1-yl)-4-bromo-benzoic acid Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC(=C2)Br)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C13H16BrNO2/c14-10-5-6-11(13(16)17)12(9-10)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,16,17)