[4-azanyl-3-[3,4-bis(fluoranyl)phenyl]-3-oxidanyl-butyl] benzoate

Systemtic Name: [4-azanyl-3-[3,4-bis(fluoranyl)phenyl]-3-oxidanyl-butyl] benzoate Openeye Name: [4-amino-3-(3,4-difluorophenyl)-3-hydroxy-butyl] benzoate CAS Name: benzoic acid [4-amino-3-(3,4-difluorophenyl)-3-hydroxybutyl] ester IUPAC Name: [4-amino-3-(3,4-difluorophenyl)-3-hydroxybutyl] benzoate Traditional Name: benzoic acid [4-amino-3-(3,4-difluorophenyl)-3-hydroxy-butyl] ester Formula: C17H17F2NO3 MolecularWeight: 321.318586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCC(CN)(C2=CC(=C(C=C2)F)F)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCC(CN)(C2=CC(=C(C=C2)F)F)O

InChI

InChI=1S/C17H17F2NO3/c18-14-7-6-13(10-15(14)19)17(22,11-20)8-9-23-16(21)12-4-2-1-3-5-12/h1-7,10,22H,8-9,11,20H2