(2S)-2-bromanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butanamide

Systemtic Name: (2S)-2-bromanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butanamide Openeye Name: (2S)-2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butanamide CAS Name: (2S)-2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutanamide IUPAC Name: (2S)-2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutanamide Traditional Name: (2S)-2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butyramide Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCCO2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCCCO2)Br

InChI

InChI=1S/C14H18BrNO3/c1-9(2)13(15)14(17)16-10-4-5-11-12(8-10)19-7-3-6-18-11/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,16,17)/t13-/m0/s1