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

Systemtic Name: (2S,5S)-2-butyl-5-(hydroxymethyl)-1-methyl-8,9-dipentyl-5,6-dihydro-2H-4,1-benzoxazocin-3-one Openeye Name: (2S,5S)-2-butyl-5-(hydroxymethyl)-1-methyl-8,9-dipentyl-5,6-dihydro-2H-4,1-benzoxazocin-3-one CAS Name: (2S,5S)-2-butyl-5-(hydroxymethyl)-1-methyl-8,9-dipentyl-5,6-dihydro-2H-4,1-benzoxazocin-3-one IUPAC Name: (2S,5S)-2-butyl-5-(hydroxymethyl)-1-methyl-8,9-dipentyl-5,6-dihydro-2H-4,1-benzoxazocin-3-one Traditional Name: (2S,5S)-8,9-diamyl-2-butyl-1-methyl-5-methylol-5,6-dihydro-2H-4,1-benzoxazocin-3-one Formula: C26H43NO3 MolecularWeight: 417.62452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C2C(=C1)CC(OC(=O)C(N2C)CCCC)CO)CCCCC

Isomeric SMILES

CCCCCC1=C(C=C2C(=C1)C[C@H](OC(=O)[C@@H](N2C)CCCC)CO)CCCCC

InChI

InChI=1S/C26H43NO3/c1-5-8-11-13-20-16-22-17-23(19-28)30-26(29)24(15-10-7-3)27(4)25(22)18-21(20)14-12-9-6-2/h16,18,23-24,28H,5-15,17,19H2,1-4H3/t23-,24-/m0/s1