tert-butyl N-[1-methyl-4-oxidanylidene-2-(phenethylamino)-2H-3,1-benzoxazin-6-yl]carbamate

Systemtic Name: tert-butyl N-[1-methyl-4-oxidanylidene-2-(phenethylamino)-2H-3,1-benzoxazin-6-yl]carbamate Openeye Name: tert-butyl N-[1-methyl-4-oxo-2-(phenethylamino)-2H-3,1-benzoxazin-6-yl]carbamate CAS Name: N-[1-methyl-4-oxo-2-(phenethylamino)-2H-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-methyl-4-oxo-2-(phenethylamino)-2H-3,1-benzoxazin-6-yl]carbamate Traditional Name: N-[4-keto-1-methyl-2-(phenethylamino)-2H-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)N(C(OC2=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)N(C(OC2=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O4/c1-22(2,3)29-21(27)24-16-10-11-18-17(14-16)19(26)28-20(25(18)4)23-13-12-15-8-6-5-7-9-15/h5-11,14,20,23H,12-13H2,1-4H3,(H,24,27)