4-[3-[(3-iodanylphenyl)carbonylamino]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3-[(3-iodanylphenyl)carbonylamino]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[3-[(3-iodobenzoyl)amino]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid CAS Name: 4-[3-[[(3-iodophenyl)-oxomethyl]amino]-2-(trifluoromethyl)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-[(3-iodobenzoyl)amino]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-[(3-iodobenzoyl)amino]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid Formula: C19H17F3IN3O3 MolecularWeight: 519.25626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)NC(=O)C3=CC(=CC=C3)I)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)NC(=O)C3=CC(=CC=C3)I)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H17F3IN3O3/c20-19(21,22)16-14(24-17(27)12-3-1-4-13(23)11-12)5-2-6-15(16)25-7-9-26(10-8-25)18(28)29/h1-6,11H,7-10H2,(H,24,27)(H,28,29)