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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl adamantane-1-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 4-phthalimidobutyl ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H27NO4/c25-20-18-5-1-2-6-19(18)21(26)24(20)7-3-4-8-28-22(27)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17H,3-4,7-14H2