5-aminocarbonyl-3,4-bis(fluoranyl)-2-(1-phenylazanylpropyl)benzoic acid; 4-iodanylpiperidine

Systemtic Name: 5-aminocarbonyl-3,4-bis(fluoranyl)-2-(1-phenylazanylpropyl)benzoic acid; 4-iodanylpiperidine Openeye Name: 2-(1-anilinopropyl)-5-carbamoyl-3,4-difluoro-benzoic acid; 4-iodopiperidine CAS Name: 2-(1-anilinopropyl)-5-carbamoyl-3,4-difluorobenzoic acid; 4-iodopiperidine IUPAC Name: 2-(1-anilinopropyl)-5-carbamoyl-3,4-difluorobenzoic acid; 4-iodopiperidine Traditional Name: 2-(1-anilinopropyl)-5-carbamoyl-3,4-difluoro-benzoic acid; 4-iodopiperidine Formula: C22H26F2IN3O3 MolecularWeight: 545.361416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1C(=O)O)C(=O)N)F)F)NC2=CC=CC=C2.C1CNCCC1I

Isomeric SMILES

CCC(C1=C(C(=C(C=C1C(=O)O)C(=O)N)F)F)NC2=CC=CC=C2.C1CNCCC1I

InChI

InChI=1S/C17H16F2N2O3.C5H10IN/c1-2-12(21-9-6-4-3-5-7-9)13-10(17(23)24)8-11(16(20)22)14(18)15(13)19;6-5-1-3-7-4-2-5/h3-8,12,21H,2H2,1H3,(H2,20,22)(H,23,24);5,7H,1-4H2