(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic 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 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H19ClFNO5 MolecularWeight: 443.852063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)Cl)N

InChI

InChI=1S/C23H19ClFNO5/c1-28-20-10-19(26)18(24)9-17(20)22(27)29-11-14-7-16(25)8-15-12-30-23(31-21(14)15)13-5-3-2-4-6-13/h2-10,23H,11-12,26H2,1H3