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5-(1-adamantyl)-2-[(2S)-butan-2-yl]isoindole-1,3-dione

5-(1-adamantyl)-2-[(2S)-butan-2-yl]isoindole-1,3-dione

Systemtic Name:5-(1-adamantyl)-2-[(2S)-butan-2-yl]isoindole-1,3-dione
Openeye Name:5-(1-adamantyl)-2-[(1S)-1-methylpropyl]isoindoline-1,3-dione
CAS Name:5-(1-adamantyl)-2-[(2S)-butan-2-yl]isoindole-1,3-dione
IUPAC Name:5-(1-adamantyl)-2-[(2S)-butan-2-yl]isoindole-1,3-dione
Traditional Name:5-(1-adamantyl)-2-[(1S)-1-methylpropyl]isoindoline-1,3-quinone
Formula: C22H27NO2
MolecularWeight: 337.45528
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C34CC5CC(C3)CC(C5)C4


Isomeric SMILES

CC[C@H](C)N1C(=O)C2=C(C1=O)C=C(C=C2)C34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C22H27NO2/c1-3-13(2)23-20(24)18-5-4-17(9-19(18)21(23)25)22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,13-16H,3,6-8,10-12H2,1-2H3/t13-,14?,15?,16?,22?/m0/s1


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