1-[4-(1,3-benzodioxol-5-yl)butyl]-8-cyclononyl-5-methyl-1,5-diazonan-7-ol

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)butyl]-8-cyclononyl-5-methyl-1,5-diazonan-7-ol Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)butyl]-8-cyclononyl-5-methyl-1,5-diazonan-7-ol CAS Name: 1-[4-(1,3-benzodioxol-5-yl)butyl]-8-cyclononyl-5-methyl-1,5-diazonan-7-ol IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)butyl]-8-cyclononyl-5-methyl-1,5-diazonan-7-ol Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)butyl]-8-cyclononyl-5-methyl-1,5-diazonan-7-ol Formula: C28H46N2O3 MolecularWeight: 458.67644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC(C(C1)O)C2CCCCCCCC2)CCCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCCN(CC(C(C1)O)C2CCCCCCCC2)CCCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C28H46N2O3/c1-29-16-10-18-30(17-9-8-11-23-14-15-27-28(19-23)33-22-32-27)20-25(26(31)21-29)24-12-6-4-2-3-5-7-13-24/h14-15,19,24-26,31H,2-13,16-18,20-22H2,1H3