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

Systemtic Name: 1-[4-(3H-1,2-benzodioxol-6-yl)butyl]-8-cyclononyl-5,7-dimethyl-1,5-diazonan-7-ol Openeye Name: 1-[4-(3H-1,2-benzodioxol-6-yl)butyl]-8-cyclononyl-5,7-dimethyl-1,5-diazonan-7-ol CAS Name: 1-[4-(3H-1,2-benzodioxol-6-yl)butyl]-8-cyclononyl-5,7-dimethyl-1,5-diazonan-7-ol IUPAC Name: 1-[4-(3H-1,2-benzodioxol-6-yl)butyl]-8-cyclononyl-5,7-dimethyl-1,5-diazonan-7-ol Traditional Name: 1-[4-(3H-1,2-benzodioxol-6-yl)butyl]-8-cyclononyl-5,7-dimethyl-1,5-diazonan-7-ol Formula: C29H48N2O3 MolecularWeight: 472.70302

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCCN(CC1C2CCCCCCCC2)CCCCC3=CC4=C(COO4)C=C3)C)O

Isomeric SMILES

CC1(CN(CCCN(CC1C2CCCCCCCC2)CCCCC3=CC4=C(COO4)C=C3)C)O

InChI

InChI=1S/C29H48N2O3/c1-29(32)23-30(2)17-11-19-31(21-27(29)25-13-7-5-3-4-6-8-14-25)18-10-9-12-24-15-16-26-22-33-34-28(26)20-24/h15-16,20,25,27,32H,3-14,17-19,21-23H2,1-2H3