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

Systemtic Name: 3-iodanyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzoic acid Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-5-iodo-benzoic acid CAS Name: 3-iodo-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-5-iodobenzoic acid Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-5-iodo-benzoic acid Formula: C19H19IN2O3 MolecularWeight: 450.27023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)I)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)I)C(=O)O

InChI

InChI=1S/C19H19IN2O3/c20-17-11-15(10-16(12-17)19(24)25)18(23)22-8-6-21(7-9-22)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2,(H,24,25)