ditert-butyl 2-[(7-azanyl-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]pentanedioate

Systemtic Name: ditert-butyl 2-[(7-azanyl-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]pentanedioate Openeye Name: ditert-butyl 2-[(7-amino-5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]pentanedioate CAS Name: 2-[(7-amino-5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(7-amino-5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]pentanedioate Traditional Name: 2-[(7-amino-4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]glutaric acid ditert-butyl ester Formula: C22H31N3O6 MolecularWeight: 433.49804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C22H31N3O6/c1-12-10-13(23)11-15-17(12)19(28)29-20(25-15)24-14(18(27)31-22(5,6)7)8-9-16(26)30-21(2,3)4/h10-11,14H,8-9,23H2,1-7H3,(H,24,25)