3-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-5-iodanyl-benzoic acid

Systemtic Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-5-iodanyl-benzoic acid Openeye Name: 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-iodo-benzoic acid CAS Name: 3-[[4-(4-chlorophenyl)-1-piperazinyl]-oxomethyl]-5-iodobenzoic acid IUPAC Name: 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-iodobenzoic acid Traditional Name: 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-iodo-benzoic acid Formula: C18H16ClIN2O3 MolecularWeight: 470.68871

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)I)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)I)C(=O)O

InChI

InChI=1S/C18H16ClIN2O3/c19-14-1-3-16(4-2-14)21-5-7-22(8-6-21)17(23)12-9-13(18(24)25)11-15(20)10-12/h1-4,9-11H,5-8H2,(H,24,25)