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

Systemtic Name: tert-butyl 2-azanyl-2-(3-azanyl-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(4-fluorophenyl)propanoate Openeye Name: tert-butyl 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(4-fluorophenyl)propanoate CAS Name: 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(4-fluorophenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(4-fluorophenyl)propanoate Traditional Name: 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(4-fluorophenyl)propionic acid tert-butyl ester Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C(O1)C=CC(=C2)C(CC3=CC=C(C=C3)F)(C(=O)OC(C)(C)C)N)N

Isomeric SMILES

CC1=C(NC2=C(O1)C=CC(=C2)C(CC3=CC=C(C=C3)F)(C(=O)OC(C)(C)C)N)N

InChI

InChI=1S/C22H26FN3O3/c1-13-19(24)26-17-11-15(7-10-18(17)28-13)22(25,20(27)29-21(2,3)4)12-14-5-8-16(23)9-6-14/h5-11,26H,12,24-25H2,1-4H3