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5-(1-adamantyl)-2-(2-butoxyphenyl)isoindole-1,3-dione

5-(1-adamantyl)-2-(2-butoxyphenyl)isoindole-1,3-dione

Systemtic Name:5-(1-adamantyl)-2-(2-butoxyphenyl)isoindole-1,3-dione
Openeye Name:5-(1-adamantyl)-2-(2-butoxyphenyl)isoindoline-1,3-dione
CAS Name:5-(1-adamantyl)-2-(2-butoxyphenyl)isoindole-1,3-dione
IUPAC Name:5-(1-adamantyl)-2-(2-butoxyphenyl)isoindole-1,3-dione
Traditional Name:5-(1-adamantyl)-2-(2-butoxyphenyl)isoindoline-1,3-quinone
Formula: C28H31NO3
MolecularWeight: 429.55064
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5


Isomeric SMILES

CCCCOC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5


InChI

InChI=1S/C28H31NO3/c1-2-3-10-32-25-7-5-4-6-24(25)29-26(30)22-9-8-21(14-23(22)27(29)31)28-15-18-11-19(16-28)13-20(12-18)17-28/h4-9,14,18-20H,2-3,10-13,15-17H2,1H3


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