3-iodanyl-4-(4-propan-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-iodanyl-4-(4-propan-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-iodo-4-(4-isopropylpiperazin-1-yl)benzoic acid CAS Name: 3-iodo-4-(4-propan-2-yl-1-piperazinyl)benzoic acid IUPAC Name: 3-iodo-4-(4-propan-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-iodo-4-(4-isopropylpiperazino)benzoic acid Formula: C14H19IN2O2 MolecularWeight: 374.21733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)I

Isomeric SMILES

CC(C)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)I

InChI

InChI=1S/C14H19IN2O2/c1-10(2)16-5-7-17(8-6-16)13-4-3-11(14(18)19)9-12(13)15/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)