(2S,5R)-9-decyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-5,6-dihydro-2H-4,1-benzoxazocin-3-one

Systemtic Name: (2S,5R)-9-decyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-5,6-dihydro-2H-4,1-benzoxazocin-3-one Openeye Name: (2S,5R)-9-decyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-5,6-dihydro-2H-4,1-benzoxazocin-3-one CAS Name: (2S,5R)-9-decyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-5,6-dihydro-2H-4,1-benzoxazocin-3-one IUPAC Name: (2S,5R)-9-decyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-5,6-dihydro-2H-4,1-benzoxazocin-3-one Traditional Name: (2S,5R)-9-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=CC2=C(CC(OC(=O)C(N2C)C(C)C)CO)C=C1

Isomeric SMILES

CCCCCCCCCCC1=CC2=C(C[C@@H](OC(=O)[C@@H](N2C)C(C)C)CO)C=C1

InChI

InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-13-20-14-15-21-17-22(18-27)29-25(28)24(19(2)3)26(4)23(21)16-20/h14-16,19,22,24,27H,5-13,17-18H2,1-4H3/t22-,24+/m1/s1