(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-azanyl-4-chloranyl-benzoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-azanyl-4-chloranyl-benzoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H17ClFNO4 MolecularWeight: 413.826083

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC(=C(C=C4)Cl)N)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC(=C(C=C4)Cl)N)F

InChI

InChI=1S/C22H17ClFNO4/c23-18-7-6-14(10-19(18)25)21(26)27-11-15-8-17(24)9-16-12-28-22(29-20(15)16)13-4-2-1-3-5-13/h1-10,22H,11-12,25H2