3-azanyl-4-[[3,5-bis(fluoranyl)phenyl]methylamino]benzoic acid

Systemtic Name: 3-azanyl-4-[[3,5-bis(fluoranyl)phenyl]methylamino]benzoic acid Openeye Name: 3-amino-4-[(3,5-difluorophenyl)methylamino]benzoic acid CAS Name: 3-amino-4-[(3,5-difluorophenyl)methylamino]benzoic acid IUPAC Name: 3-amino-4-[(3,5-difluorophenyl)methylamino]benzoic acid Traditional Name: 3-amino-4-[(3,5-difluorobenzyl)amino]benzoic acid Formula: C14H12F2N2O2 MolecularWeight: 278.254086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)N)NCC2=CC(=CC(=C2)F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)N)NCC2=CC(=CC(=C2)F)F

InChI

InChI=1S/C14H12F2N2O2/c15-10-3-8(4-11(16)6-10)7-18-13-2-1-9(14(19)20)5-12(13)17/h1-6,18H,7,17H2,(H,19,20)