1-adamantyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: 1-adamantyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: 1-adamantyl 2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: 3-phenyl-2-phthalimido-propionic acid 1-adamantyl ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

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