4-bromanyl-2-(4-methyl-1,4-diazepan-1-yl)benzoic acid

Systemtic Name: 4-bromanyl-2-(4-methyl-1,4-diazepan-1-yl)benzoic acid Openeye Name: 4-bromo-2-(4-methyl-1,4-diazepan-1-yl)benzoic acid CAS Name: 4-bromo-2-(4-methyl-1,4-diazepan-1-yl)benzoic acid IUPAC Name: 4-bromo-2-(4-methyl-1,4-diazepan-1-yl)benzoic acid Traditional Name: 4-bromo-2-(4-methyl-1,4-diazepan-1-yl)benzoic acid Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=CC(=C2)Br)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C13H17BrN2O2/c1-15-5-2-6-16(8-7-15)12-9-10(14)3-4-11(12)13(17)18/h3-4,9H,2,5-8H2,1H3,(H,17,18)