methyl 4-[5-(1-adamantyl)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: methyl 4-[5-(1-adamantyl)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: methyl 4-[5-(1-adamantyl)-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 4-[5-(1-adamantyl)-1,3-dioxo-2-isoindolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(1-adamantyl)-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 4-[5-(1-adamantyl)-1,3-diketo-isoindolin-2-yl]benzoic acid methyl ester Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4/c1-31-25(30)18-2-5-20(6-3-18)27-23(28)21-7-4-19(11-22(21)24(27)29)26-12-15-8-16(13-26)10-17(9-15)14-26/h2-7,11,15-17H,8-10,12-14H2,1H3