3-bromanyl-4-(4-ethylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-bromanyl-4-(4-ethylpiperazin-1-yl)benzoic acid Openeye Name: 3-bromo-4-(4-ethylpiperazin-1-yl)benzoic acid CAS Name: 3-bromo-4-(4-ethyl-1-piperazinyl)benzoic acid IUPAC Name: 3-bromo-4-(4-ethylpiperazin-1-yl)benzoic acid Traditional Name: 3-bromo-4-(4-ethylpiperazino)benzoic acid Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)Br

InChI

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