6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(4-but-2-ynoxyphenyl)methyl]-N-ethoxy-hexanamide

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(4-but-2-ynoxyphenyl)methyl]-N-ethoxy-hexanamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)methyl]-6-(1,3-dioxoisoindolin-2-yl)-N-ethoxy-hexanamide CAS Name: 2-[(4-but-2-ynoxyphenyl)methyl]-6-(1,3-dioxo-2-isoindolyl)-N-ethoxyhexanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)methyl]-6-(1,3-dioxoisoindol-2-yl)-N-ethoxyhexanamide Traditional Name: 2-(4-but-2-ynoxybenzyl)-N-ethoxy-6-phthalimido-hexanamide Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)C(CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCONC(=O)C(CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C27H30N2O5/c1-3-5-18-33-22-15-13-20(14-16-22)19-21(25(30)28-34-4-2)10-8-9-17-29-26(31)23-11-6-7-12-24(23)27(29)32/h6-7,11-16,21H,4,8-10,17-19H2,1-2H3,(H,28,30)