(5S,7R)-3-bromanyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]adamantane-1-carboxamide Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)NC[C@@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C20H24BrNO3/c21-20-8-13-5-14(9-20)7-19(6-13,12-20)18(23)22-10-15-11-24-16-3-1-2-4-17(16)25-15/h1-4,13-15H,5-12H2,(H,22,23)/t13-,14+,15-,19?,20?/m1/s1