N-(1-adamantyl)-2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(1-adamantyl)-2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(1-adamantyl)-2-(4-ethoxyphenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(1-adamantyl)-2-(4-ethoxyphenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(1-adamantyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(1-adamantyl)-1,3-diketo-2-p-phenetyl-isoindoline-5-carboxamide Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28N2O4/c1-2-33-21-6-4-20(5-7-21)29-25(31)22-8-3-19(12-23(22)26(29)32)24(30)28-27-13-16-9-17(14-27)11-18(10-16)15-27/h3-8,12,16-18H,2,9-11,13-15H2,1H3,(H,28,30)