11-(methylcarbamoyloxy)undecyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: 11-(methylcarbamoyloxy)undecyl 1,3-benzodioxole-5-carboxylate Openeye Name: 11-(methylcarbamoyloxy)undecyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid 11-(methylcarbamoyloxy)undecyl ester IUPAC Name: 11-(methylcarbamoyloxy)undecyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid 11-(methylcarbamoyloxy)undecyl ester Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CNC(=O)OCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C21H31NO6/c1-22-21(24)26-14-10-8-6-4-2-3-5-7-9-13-25-20(23)17-11-12-18-19(15-17)28-16-27-18/h11-12,15H,2-10,13-14,16H2,1H3,(H,22,24)