(2S,5R)-8-bromanyl-2-butyl-5-(hydroxymethyl)-1-methyl-9-octyl-5,6-dihydro-2H-4,1-benzoxazocin-3-one

Systemtic Name: (2S,5R)-8-bromanyl-2-butyl-5-(hydroxymethyl)-1-methyl-9-octyl-5,6-dihydro-2H-4,1-benzoxazocin-3-one Openeye Name: (2S,5R)-8-bromo-2-butyl-5-(hydroxymethyl)-1-methyl-9-octyl-5,6-dihydro-2H-4,1-benzoxazocin-3-one CAS Name: (2S,5R)-8-bromo-2-butyl-5-(hydroxymethyl)-1-methyl-9-octyl-5,6-dihydro-2H-4,1-benzoxazocin-3-one IUPAC Name: (2S,5R)-8-bromo-2-butyl-5-(hydroxymethyl)-1-methyl-9-octyl-5,6-dihydro-2H-4,1-benzoxazocin-3-one Traditional Name: (2S,5R)-8-bromo-2-butyl-1-methyl-5-methylol-9-octyl-5,6-dihydro-2H-4,1-benzoxazocin-3-one Formula: C24H38BrNO3 MolecularWeight: 468.46742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C2CC(OC(=O)C(N(C2=C1)C)CCCC)CO)Br

Isomeric SMILES

CCCCCCCCC1=C(C=C2C[C@@H](OC(=O)[C@@H](N(C2=C1)C)CCCC)CO)Br

InChI

InChI=1S/C24H38BrNO3/c1-4-6-8-9-10-11-12-18-16-23-19(15-21(18)25)14-20(17-27)29-24(28)22(26(23)3)13-7-5-2/h15-16,20,22,27H,4-14,17H2,1-3H3/t20-,22+/m1/s1