(2S,5S)-9-cyclododecyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one

Systemtic Name: (2S,5S)-9-cyclododecyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-9-cyclododecyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-9-cyclododecyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-9-cyclododecyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-9-cyclododecyl-2-isopropyl-1-methyl-5-methylol-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Formula: C27H44N2O2 MolecularWeight: 428.65046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(CC2=C(N1C)C=C(C=C2)C3CCCCCCCCCCC3)CO

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](CC2=C(N1C)C=C(C=C2)C3CCCCCCCCCCC3)CO

InChI

InChI=1S/C27H44N2O2/c1-20(2)26-27(31)28-24(19-30)17-23-16-15-22(18-25(23)29(26)3)21-13-11-9-7-5-4-6-8-10-12-14-21/h15-16,18,20-21,24,26,30H,4-14,17,19H2,1-3H3,(H,28,31)/t24-,26-/m0/s1