(5R,7S)-3-acetamido-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-adamantane-1-carboxamide

Systemtic Name: (5R,7S)-3-acetamido-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-adamantane-1-carboxamide Openeye Name: (5R,7S)-3-acetamido-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-adamantane-1-carboxamide CAS Name: (5R,7S)-3-acetamido-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-1-adamantanecarboxamide IUPAC Name: (5R,7S)-3-acetamido-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yladamantane-1-carboxamide Traditional Name: (5R,7S)-3-acetamido-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-adamantane-1-carboxamide Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC5=C(C=C4)OC6(O5)CCCCC6

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NC4=CC5=C(C=C4)OC6(O5)CCCCC6

InChI

InChI=1S/C25H32N2O4/c1-16(28)27-24-13-17-9-18(14-24)12-23(11-17,15-24)22(29)26-19-5-6-20-21(10-19)31-25(30-20)7-3-2-4-8-25/h5-6,10,17-18H,2-4,7-9,11-15H2,1H3,(H,26,29)(H,27,28)/t17-,18+,23?,24?