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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(3-methoxypropyl)-N-piperonyl-isoindoline-5-carboxamide Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O6/c1-27-8-2-7-23-20(25)15-5-4-14(10-16(15)21(23)26)19(24)22-11-13-3-6-17-18(9-13)29-12-28-17/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,22,24)