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

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-3-iodanyl-benzoic acid Openeye Name: 4-(4-ethylpiperazin-1-yl)-3-iodo-benzoic acid CAS Name: 4-(4-ethyl-1-piperazinyl)-3-iodobenzoic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)-3-iodobenzoic acid Traditional Name: 4-(4-ethylpiperazino)-3-iodo-benzoic acid Formula: C13H17IN2O2 MolecularWeight: 360.19075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17IN2O2/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)