1,5-bis[4-(3H-1,2-benzodioxol-6-yl)butyl]-8-cyclononyl-1,5-diazonan-7-ol

Systemtic Name: 1,5-bis[4-(3H-1,2-benzodioxol-6-yl)butyl]-8-cyclononyl-1,5-diazonan-7-ol Openeye Name: 1,5-bis[4-(3H-1,2-benzodioxol-6-yl)butyl]-8-cyclononyl-1,5-diazonan-7-ol CAS Name: 1,5-bis[4-(3H-1,2-benzodioxol-6-yl)butyl]-8-cyclononyl-1,5-diazonan-7-ol IUPAC Name: 1,5-bis[4-(3H-1,2-benzodioxol-6-yl)butyl]-8-cyclononyl-1,5-diazonan-7-ol Traditional Name: 1,5-bis[4-(3H-1,2-benzodioxol-6-yl)butyl]-8-cyclononyl-1,5-diazonan-7-ol Formula: C38H56N2O5 MolecularWeight: 620.86164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC(CCC1)C2CN(CCCN(CC2O)CCCCC3=CC4=C(COO4)C=C3)CCCCC5=CC6=C(COO6)C=C5

Isomeric SMILES

C1CCCCC(CCC1)C2CN(CCCN(CC2O)CCCCC3=CC4=C(COO4)C=C3)CCCCC5=CC6=C(COO6)C=C5

InChI

InChI=1S/C38H56N2O5/c41-36-27-40(21-10-8-13-31-17-19-34-29-43-45-38(34)25-31)23-11-22-39(26-35(36)32-14-5-3-1-2-4-6-15-32)20-9-7-12-30-16-18-33-28-42-44-37(33)24-30/h16-19,24-25,32,35-36,41H,1-15,20-23,26-29H2