5-(1-adamantyl)-2-(4-methoxyphenyl)isoindole-1,3-dione

Systemtic Name: 5-(1-adamantyl)-2-(4-methoxyphenyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(4-methoxyphenyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(4-methoxyphenyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(4-methoxyphenyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-(4-methoxyphenyl)isoindoline-1,3-quinone Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H25NO3/c1-29-20-5-3-19(4-6-20)26-23(27)21-7-2-18(11-22(21)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