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

Systemtic Name: 5-(1-adamantyl)-2-(2-methoxyphenyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(2-methoxyphenyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(2-methoxyphenyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(2-methoxyphenyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-(2-methoxyphenyl)isoindoline-1,3-quinone Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H25NO3/c1-29-22-5-3-2-4-21(22)26-23(27)19-7-6-18(11-20(19)24(26)28)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-7,11,15-17H,8-10,12-14H2,1H3