1-(1,3-benzodioxol-5-yl)-2-heptoxy-ethanamine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-heptoxy-ethanamine Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-heptoxy-ethanamine CAS Name: 1-(1,3-benzodioxol-5-yl)-2-heptoxyethanamine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-heptoxyethanamine Traditional Name: [1-(1,3-benzodioxol-5-yl)-2-heptoxy-ethyl]amine Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC(C1=CC2=C(C=C1)OCO2)N

Isomeric SMILES

CCCCCCCOCC(C1=CC2=C(C=C1)OCO2)N

InChI

InChI=1S/C16H25NO3/c1-2-3-4-5-6-9-18-11-14(17)13-7-8-15-16(10-13)20-12-19-15/h7-8,10,14H,2-6,9,11-12,17H2,1H3