1-(1,3-benzodioxol-5-ylmethyl)-3-butyl-urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butyl-urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butyl-urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butylurea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butylurea Traditional Name: 1-butyl-3-piperonyl-urea Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCNC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H18N2O3/c1-2-3-6-14-13(16)15-8-10-4-5-11-12(7-10)18-9-17-11/h4-5,7H,2-3,6,8-9H2,1H3,(H2,14,15,16)