N,N'-bis(3,4-dihydro-1H-isochromen-1-ylmethyl)heptane-1,7-diamine

Systemtic Name: N,N'-bis(3,4-dihydro-1H-isochromen-1-ylmethyl)heptane-1,7-diamine Openeye Name: N,N'-bis(isochroman-1-ylmethyl)heptane-1,7-diamine CAS Name: N,N'-bis(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)heptane-1,7-diamine IUPAC Name: N,N'-bis(3,4-dihydro-1H-isochromen-1-ylmethyl)heptane-1,7-diamine Traditional Name: isochroman-1-ylmethyl-[7-(isochroman-1-ylmethylamino)heptyl]amine Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNCCCCCCCNCC3C4=CC=CC=C4CCO3

Isomeric SMILES

C1COC(C2=CC=CC=C21)CNCCCCCCCNCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C27H38N2O2/c1(2-8-16-28-20-26-24-12-6-4-10-22(24)14-18-30-26)3-9-17-29-21-27-25-13-7-5-11-23(25)15-19-31-27/h4-7,10-13,26-29H,1-3,8-9,14-21H2