tert-butyl 2-azanyl-2-(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)-7-[(4-chlorophenyl)carbonylamino]heptanoate

Systemtic Name: tert-butyl 2-azanyl-2-(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)-7-[(4-chlorophenyl)carbonylamino]heptanoate Openeye Name: tert-butyl 2-amino-2-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-7-[(4-chlorobenzoyl)amino]heptanoate CAS Name: 2-amino-2-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-7-[[(4-chlorophenyl)-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-2-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-7-[(4-chlorobenzoyl)amino]heptanoate Traditional Name: 2-amino-2-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-7-[(4-chlorobenzoyl)amino]enanthic acid tert-butyl ester Formula: C27H35ClN4O4 MolecularWeight: 515.0442

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)C(CCCCCNC(=O)C3=CC=C(C=C3)Cl)(C(=O)OC(C)(C)C)N)N

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)C(CCCCCNC(=O)C3=CC=C(C=C3)Cl)(C(=O)OC(C)(C)C)N)N

InChI

InChI=1S/C27H35ClN4O4/c1-17-23(29)32-21-16-19(10-13-22(21)35-17)27(30,25(34)36-26(2,3)4)14-6-5-7-15-31-24(33)18-8-11-20(28)12-9-18/h8-13,16-17H,5-7,14-15,30H2,1-4H3,(H2,29,32)(H,31,33)