N1,N6-bis(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,6-trimethyl-heptane-1,6-diamine

Systemtic Name: N1,N6-bis(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,6-trimethyl-heptane-1,6-diamine Openeye Name: N1,N6-bis(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,6-trimethyl-heptane-1,6-diamine CAS Name: N1,N6-bis(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,6-trimethylheptane-1,6-diamine IUPAC Name: 1-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,6-trimethylheptane-1,6-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1,1,4,4-tetramethyl-hexyl]amine Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(C)(C)NCC1COC2=CC=CC=C2O1)CCNCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(CCC(C)(C)NCC1COC2=CC=CC=C2O1)CCNCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C28H40N2O4/c1-27(2,15-16-29-17-21-19-31-23-9-5-7-11-25(23)33-21)13-14-28(3,4)30-18-22-20-32-24-10-6-8-12-26(24)34-22/h5-12,21-22,29-30H,13-20H2,1-4H3