N-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-N-(3-methoxyphenyl)adamantane-1-carboxamide

Systemtic Name: N-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-N-(3-methoxyphenyl)adamantane-1-carboxamide Openeye Name: N-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-N-(3-methoxyphenyl)adamantane-1-carboxamide CAS Name: N-[2-(1,3-dioxo-2-isoindolyl)ethyl]-N-(3-methoxyphenyl)-1-adamantanecarboxamide IUPAC Name: N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)adamantane-1-carboxamide Traditional Name: N-(3-methoxyphenyl)-N-(2-phthalimidoethyl)adamantane-1-carboxamide Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)N(CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H30N2O4/c1-34-22-6-4-5-21(14-22)29(9-10-30-25(31)23-7-2-3-8-24(23)26(30)32)27(33)28-15-18-11-19(16-28)13-20(12-18)17-28/h2-8,14,18-20H,9-13,15-17H2,1H3