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

Systemtic Name: 5-aminocarbonyl-3,4-bis(fluoranyl)-2-(1-phenylazanylpropyl)benzoic acid Openeye Name: 2-(1-anilinopropyl)-5-carbamoyl-3,4-difluoro-benzoic acid CAS Name: 2-(1-anilinopropyl)-5-carbamoyl-3,4-difluorobenzoic acid IUPAC Name: 2-(1-anilinopropyl)-5-carbamoyl-3,4-difluorobenzoic acid Traditional Name: 2-(1-anilinopropyl)-5-carbamoyl-3,4-difluoro-benzoic acid Formula: C17H16F2N2O3 MolecularWeight: 334.317346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F2N2O3/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/h3-8,12,21H,2H2,1H3,(H2,20,22)(H,23,24)