N'-[(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-N-phenethyl-hexane-1,6-diamine

Systemtic Name: N'-[(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-N-phenethyl-hexane-1,6-diamine Openeye Name: N'-[(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-N-phenethyl-hexane-1,6-diamine CAS Name: N'-[(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-N-phenethylhexane-1,6-diamine IUPAC Name: N'-[(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-N-phenethylhexane-1,6-diamine Traditional Name: (3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl-[6-(phenethylamino)hexyl]amine Formula: C25H36N2O2 MolecularWeight: 396.56554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(CC2=C1)CNCCCCCCNCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(CC2=C1)CNCCCCCCNCCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H36N2O2/c1-28-24-17-21-16-22(23(21)18-25(24)29-2)19-27-14-9-4-3-8-13-26-15-12-20-10-6-5-7-11-20/h5-7,10-11,17-18,22,26-27H,3-4,8-9,12-16,19H2,1-2H3