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

Systemtic Name: ethyl 4-[5-(1-adamantyl)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: ethyl 4-[5-(1-adamantyl)-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 4-[5-(1-adamantyl)-1,3-dioxo-2-isoindolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(1-adamantyl)-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 4-[5-(1-adamantyl)-1,3-diketo-isoindolin-2-yl]benzoic acid ethyl ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO4/c1-2-32-26(31)19-3-6-21(7-4-19)28-24(29)22-8-5-20(12-23(22)25(28)30)27-13-16-9-17(14-27)11-18(10-16)15-27/h3-8,12,16-18H,2,9-11,13-15H2,1H3