N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-iodanyl-benzamide

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-iodanyl-benzamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-iodo-benzamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-iodobenzamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-iodobenzamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-iodo-benzamide Formula: C20H22INO3 MolecularWeight: 451.29805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C20H22INO3/c1-13(2)19(22-20(23)15-6-3-4-7-16(15)21)14-8-9-17-18(12-14)25-11-5-10-24-17/h3-4,6-9,12-13,19H,5,10-11H2,1-2H3,(H,22,23)/t19-/m0/s1