4-[4-[5-[(3-chloranyl-4-iodanyl-phenyl)carbamoyl]pyridin-2-yl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[5-[(3-chloranyl-4-iodanyl-phenyl)carbamoyl]pyridin-2-yl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[5-[(3-chloro-4-iodo-phenyl)carbamoyl]-2-pyridyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[5-[(3-chloro-4-iodoanilino)-oxomethyl]-2-pyridinyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[5-[(3-chloro-4-iodophenyl)carbamoyl]pyridin-2-yl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[5-[(3-chloro-4-iodo-phenyl)carbamoyl]-2-pyridyl]piperazino]benzoic acid Formula: C23H20ClIN4O3 MolecularWeight: 562.78737

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C3=NC=C(C=C3)C(=O)NC4=CC(=C(C=C4)I)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C3=NC=C(C=C3)C(=O)NC4=CC(=C(C=C4)I)Cl

InChI

InChI=1S/C23H20ClIN4O3/c24-19-13-17(4-7-20(19)25)27-22(30)16-3-8-21(26-14-16)29-11-9-28(10-12-29)18-5-1-15(2-6-18)23(31)32/h1-8,13-14H,9-12H2,(H,27,30)(H,31,32)