N-(3-methoxypropyl)-1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxamide

Systemtic Name: N-(3-methoxypropyl)-1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxamide Openeye Name: N-(3-methoxypropyl)-1,3-dioxo-2-phenethyl-isoindoline-5-carboxamide CAS Name: N-(3-methoxypropyl)-1,3-dioxo-2-phenethyl-5-isoindolecarboxamide IUPAC Name: N-(3-methoxypropyl)-1,3-dioxo-2-phenethylisoindole-5-carboxamide Traditional Name: 1,3-diketo-N-(3-methoxypropyl)-2-phenethyl-isoindoline-5-carboxamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-27-13-5-11-22-19(24)16-8-9-17-18(14-16)21(26)23(20(17)25)12-10-15-6-3-2-4-7-15/h2-4,6-9,14H,5,10-13H2,1H3,(H,22,24)