2-[2-(1-adamantyl)-1-phenyl-ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[2-(1-adamantyl)-1-phenyl-ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[2-(1-adamantyl)-1-phenyl-ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[2-(1-adamantyl)-1-phenylethyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[2-(1-adamantyl)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[2-(1-adamantyl)-1-phenyl-ethyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(C4=CC=CC=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(C4=CC=CC=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O

InChI

InChI=1S/C27H27NO4/c29-24-21-7-6-20(26(31)32)11-22(21)25(30)28(24)23(19-4-2-1-3-5-19)15-27-12-16-8-17(13-27)10-18(9-16)14-27/h1-7,11,16-18,23H,8-10,12-15H2,(H,31,32)