(2S,5S)-7-decyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-5,6-dihydro-2H-4,1-benzoxazocin-3-one

Systemtic Name: (2S,5S)-7-decyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-5,6-dihydro-2H-4,1-benzoxazocin-3-one Openeye Name: (2S,5S)-7-decyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-5,6-dihydro-2H-4,1-benzoxazocin-3-one CAS Name: (2S,5S)-7-decyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-5,6-dihydro-2H-4,1-benzoxazocin-3-one IUPAC Name: (2S,5S)-7-decyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-5,6-dihydro-2H-4,1-benzoxazocin-3-one Traditional Name: (2S,5S)-7-decyl-2-isopropyl-1-methyl-5-methylol-5,6-dihydro-2H-4,1-benzoxazocin-3-one Formula: C25H41NO3 MolecularWeight: 403.59794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C2CC(OC(=O)C(N(C2=CC=C1)C)C(C)C)CO

Isomeric SMILES

CCCCCCCCCCC1=C2C[C@H](OC(=O)[C@@H](N(C2=CC=C1)C)C(C)C)CO

InChI

InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/m0/s1