3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-yl-amino]propyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-yl-amino]propyl 2-(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 3-[tert-butoxycarbonyl(2-pyridyl)amino]propyl 2-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)peroxyacetate CAS Name: 2-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoic acid 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(2-pyridinyl)amino]propyl ester IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propyl 2-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethaneperoxoate Traditional Name: 2-(3-keto-1,2,4,5-tetrahydro-2-benzazepin-4-yl)peracetic acid 3-[tert-butoxycarbonyl(2-pyridyl)amino]propyl ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCOOC(=O)CC1CC2=CC=CC=C2CNC1=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCOOC(=O)CC1CC2=CC=CC=C2CNC1=O)C3=CC=CC=N3

InChI

InChI=1S/C25H31N3O6/c1-25(2,3)33-24(31)28(21-11-6-7-12-26-21)13-8-14-32-34-22(29)16-20-15-18-9-4-5-10-19(18)17-27-23(20)30/h4-7,9-12,20H,8,13-17H2,1-3H3,(H,27,30)