4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-oxidanyladamantane-1-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-oxidanyladamantane-1-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid 4-phthalimidobutyl ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H27NO5/c25-19-17-5-1-2-6-18(17)20(26)24(19)7-3-4-8-29-21(27)22-10-15-9-16(11-22)13-23(28,12-15)14-22/h1-2,5-6,15-16,28H,3-4,7-14H2