13-(methylcarbamoyloxy)tridecyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: 13-(methylcarbamoyloxy)tridecyl 1,3-benzodioxole-5-carboxylate Openeye Name: 13-(methylcarbamoyloxy)tridecyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid 13-(methylcarbamoyloxy)tridecyl ester IUPAC Name: 13-(methylcarbamoyloxy)tridecyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid 13-(methylcarbamoyloxy)tridecyl ester Formula: C23H35NO6 MolecularWeight: 421.5271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO6/c1-24-23(26)28-16-12-10-8-6-4-2-3-5-7-9-11-15-27-22(25)19-13-14-20-21(17-19)30-18-29-20/h13-14,17H,2-12,15-16,18H2,1H3,(H,24,26)