3-azanylpropyl 2-(2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 3-azanylpropyl 2-(2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 3-aminopropyl 2-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)peroxyacetate CAS Name: 2-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoic acid 3-aminopropyl ester IUPAC Name: 3-aminopropyl 2-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate Traditional Name: 2-(3-keto-2-methyl-4,5-dihydro-1H-2-benzazepin-4-yl)peracetic acid 3-aminopropyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2CC(C1=O)CC(=O)OOCCCN

Isomeric SMILES

CN1CC2=CC=CC=C2CC(C1=O)CC(=O)OOCCCN

InChI

InChI=1S/C16H22N2O4/c1-18-11-13-6-3-2-5-12(13)9-14(16(18)20)10-15(19)22-21-8-4-7-17/h2-3,5-6,14H,4,7-11,17H2,1H3