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

Systemtic Name: tert-butyl 2-azanyl-2-(3-azanyl-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(3,4-dichlorophenyl)propanoate Openeye Name: tert-butyl 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(3,4-dichlorophenyl)propanoate CAS Name: 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(3,4-dichlorophenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(3,4-dichlorophenyl)propanoate Traditional Name: 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(3,4-dichlorophenyl)propionic acid tert-butyl ester Formula: C22H25Cl2N3O3 MolecularWeight: 450.3582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2N3O3/c1-12-19(25)27-17-10-14(6-8-18(17)29-12)22(26,20(28)30-21(2,3)4)11-13-5-7-15(23)16(24)9-13/h5-10,27H,11,25-26H2,1-4H3