(2S,5S)-5-(hydroxymethyl)-2-icosyl-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one

Systemtic Name: (2S,5S)-5-(hydroxymethyl)-2-icosyl-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-5-(hydroxymethyl)-2-icosyl-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-2-eicosyl-5-(hydroxymethyl)-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-5-(hydroxymethyl)-2-icosyl-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-2-arachyl-1-methyl-5-methylol-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Formula: C32H56N2O2 MolecularWeight: 500.79924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1C(=O)NC(CC2=CC=CC=C2N1C)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2N1C)CO

InChI

InChI=1S/C32H56N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31-32(36)33-29(27-35)26-28-23-21-22-24-30(28)34(31)2/h21-24,29,31,35H,3-20,25-27H2,1-2H3,(H,33,36)/t29-,31-/m0/s1