tert-butyl 2-azanyl-2-(3-azanyl-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(2-chloranyl-6-fluoranyl-phenyl)propanoate

Systemtic Name: tert-butyl 2-azanyl-2-(3-azanyl-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(2-chloranyl-6-fluoranyl-phenyl)propanoate Openeye Name: tert-butyl 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(2-chloro-6-fluoro-phenyl)propanoate CAS Name: 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(2-chloro-6-fluorophenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(2-chloro-6-fluorophenyl)propanoate Traditional Name: 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(2-chloro-6-fluoro-phenyl)propionic acid tert-butyl ester Formula: C22H25ClFN3O3 MolecularWeight: 433.903603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C(O1)C=CC(=C2)C(CC3=C(C=CC=C3Cl)F)(C(=O)OC(C)(C)C)N)N

Isomeric SMILES

CC1=C(NC2=C(O1)C=CC(=C2)C(CC3=C(C=CC=C3Cl)F)(C(=O)OC(C)(C)C)N)N

InChI

InChI=1S/C22H25ClFN3O3/c1-12-19(25)27-17-10-13(8-9-18(17)29-12)22(26,20(28)30-21(2,3)4)11-14-15(23)6-5-7-16(14)24/h5-10,27H,11,25-26H2,1-4H3